Glycoside
...
GD150445

Name:
8-[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-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:
C95H80O44

Smiles:
O=C(OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(O)c2)C(O)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(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)c(C9c%10c(O)cc(O)cc%10OC(c%10ccc(O)c(O)c%10)C9O)c8OC(c8ccc(O)c(O)c8)C7O)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: 44 RingCount: 18
HBD: 33 FractionCSP3: 0.22
AlogP: 6.48 Num_rotatable_bonds: 16
MolWt: 1925.64 Num_heavy_atoms: 139
TPSA: 784.8 NumAromaticRings: 12

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
AD60096
Formula: C82H66O35

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%10ccc(O)c(O)c%10)C9O)c8OC(c8ccc(O)c(O)c8)C7O)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: 35 RingCount: 16
HBD: 28 FractionCSP3: 0.18
AlogP: 8.03 Num_rotatable_bonds: 11
MolWt: 1611.4 Num_heavy_atoms: 117
TPSA: 638.89 NumAromaticRings: 11

Sugarmoiety
SD00017

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