Glycoside
...
GD003751

Name:
None

Formula:
C39H36O14

Smiles:
Cc1ccc(CC(=O)OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](OC(=O)Cc3ccc(C)cc3)[C@H](O)[C@H]2O)cc1

Aglycone:
COC(=O)Cc1ccc(C)cc1.Cc1ccc(CC(=O)O)cc1.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 6 FractionCSP3: 0.26
AlogP: 3.67 Num_rotatable_bonds: 10
MolWt: 728.7 Num_heavy_atoms: 53
TPSA: 222.65 NumAromaticRings: 5

Unique Aglycone
AD00377
Formula: C15H10O7

Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
HBA: 7 RingCount: 3
HBD: 5 FractionCSP3: 0.0
AlogP: 1.99 Num_rotatable_bonds: 1
MolWt: 302.24 Num_heavy_atoms: 22
TPSA: 131.36 NumAromaticRings: 3
AD03362
Formula: C10H12O2

Smiles:
COC(=O)Cc1ccc(C)cc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.3
AlogP: 1.71 Num_rotatable_bonds: 2
MolWt: 164.2 Num_heavy_atoms: 12
TPSA: 26.3 NumAromaticRings: 1
AD03363
Formula: C9H10O2

Smiles:
Cc1ccc(CC(=O)O)cc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.62 Num_rotatable_bonds: 2
MolWt: 150.18 Num_heavy_atoms: 11
TPSA: 37.3 NumAromaticRings: 1

Sugarmoiety
SD00017

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