Glycoside
...
GD020733

Name:
None

Formula:
C34H32O12

Smiles:
COc1cc2c(O[C@@H]3O[C@H](COCc4ccccc4)[C@H](O)[C@H](O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3

Aglycone:
COCc1ccccc1.COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3

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

Other Identifiers

Properties
HBA: 12 RingCount: 7
HBD: 3 FractionCSP3: 0.32
AlogP: 3.33 Num_rotatable_bonds: 9
MolWt: 632.62 Num_heavy_atoms: 46
TPSA: 151.6 NumAromaticRings: 4

Unique Aglycone
AD00042
Formula: C8H10O

Smiles:
COCc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 1.83 Num_rotatable_bonds: 2
MolWt: 122.17 Num_heavy_atoms: 9
TPSA: 9.23 NumAromaticRings: 1
AD00663
Formula: C21H16O7

Smiles:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3
HBA: 7 RingCount: 5
HBD: 1 FractionCSP3: 0.19
AlogP: 3.63 Num_rotatable_bonds: 3
MolWt: 380.35 Num_heavy_atoms: 28
TPSA: 83.45 NumAromaticRings: 3

Sugarmoiety
SD00017

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