Glycoside
...
GD127154

Name:
4-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-(7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl)-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-8-yl]-8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[5-hydroxy-7-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Formula:
C129H106O67

Smiles:
O=C(OCC1OC(Oc2cc(O)c3c(c2)OC(c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C3c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C3c2c(O)cc(O)c3c2OC(c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C3c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C3c2c(O)cc(OC3OC(CO)C(O)C(O)C3O)c3c2OC(c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C3)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1

Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=C(OC1Cc2c(O)cc(O)c(C3c4c(O)cc(O)c(C5c6c(O)cc(O)c(C7c8c(O)cc(O)c(C9c%10c(O)cc(O)cc%10OC(c%10cc(O)c(O)c(O)c%10)C9OC(=O)c9cc(O)c(O)c(O)c9)c8OC(c8ccc(O)c(O)c8)C7OC(=O)c7cc(O)c(O)c(O)c7)c6OC(c6cc(O)c(O)c(O)c6)C5OC(=O)c5cc(O)c(O)c(O)c5)c4OC(c4ccc(O)c(O)c4)C3OC(=O)c3cc(O)c(O)c(O)c3)c2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 67 RingCount: 23
HBD: 46 FractionCSP3: 0.21
AlogP: 7.29 Num_rotatable_bonds: 27
MolWt: 2728.2 Num_heavy_atoms: 196
TPSA: 1171.45 NumAromaticRings: 16

Unique Aglycone
AD00121
Formula: C8H8O5

Smiles:
COC(=O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.12
AlogP: 0.59 Num_rotatable_bonds: 1
MolWt: 184.15 Num_heavy_atoms: 13
TPSA: 86.99 NumAromaticRings: 1
AD51480
Formula: C110H82O53

Smiles:
O=C(OC1Cc2c(O)cc(O)c(C3c4c(O)cc(O)c(C5c6c(O)cc(O)c(C7c8c(O)cc(O)c(C9c%10c(O)cc(O)cc%10OC(c%10cc(O)c(O)c(O)c%10)C9OC(=O)c9cc(O)c(O)c(O)c9)c8OC(c8ccc(O)c(O)c8)C7OC(=O)c7cc(O)c(O)c(O)c7)c6OC(c6cc(O)c(O)c(O)c6)C5OC(=O)c5cc(O)c(O)c(O)c5)c4OC(c4ccc(O)c(O)c4)C3OC(=O)c3cc(O)c(O)c(O)c3)c2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
HBA: 53 RingCount: 20
HBD: 38 FractionCSP3: 0.14
AlogP: 11.37 Num_rotatable_bonds: 19
MolWt: 2251.81 Num_heavy_atoms: 163
TPSA: 946.39 NumAromaticRings: 15

Sugarmoiety
SD00628

OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O