Glycoside
...
GD146822

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

Formula:
C87H72O43

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(O)C3c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3c2c(O)cc(O)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)cc8OC(c8cc(O)c(O)c(O)c8)C7OC(=O)c7cc(O)c(O)c(O)c7)c6OC(c6ccc(O)c(O)c6)C5O)c4OC(c4ccc(O)c(O)c4)C3O)c2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

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

Other Identifiers

Properties
HBA: 43 RingCount: 16
HBD: 31 FractionCSP3: 0.21
AlogP: 5.72 Num_rotatable_bonds: 16
MolWt: 1805.49 Num_heavy_atoms: 130
TPSA: 761.41 NumAromaticRings: 11

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
AD58845
Formula: C74H58O34

Smiles:
O=C(OC1Cc2c(O)cc(O)c(C3c4c(O)cc(O)c(C5c6c(O)cc(O)c(C7c8c(O)cc(O)cc8OC(c8cc(O)c(O)c(O)c8)C7OC(=O)c7cc(O)c(O)c(O)c7)c6OC(c6ccc(O)c(O)c6)C5O)c4OC(c4ccc(O)c(O)c4)C3O)c2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
HBA: 34 RingCount: 14
HBD: 26 FractionCSP3: 0.16
AlogP: 7.27 Num_rotatable_bonds: 11
MolWt: 1491.24 Num_heavy_atoms: 108
TPSA: 615.5 NumAromaticRings: 10

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O