Glycoside
...
GD016905

Name:
None

Formula:
C41H40O14

Smiles:
CCCc1ccc(C(=O)O[C@@H]2[C@H](Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)c2ccc(CCC)cc2)cc1

Aglycone:
CCCc1ccc(C(=O)O)cc1.CCCc1ccc(C(=O)O)cc1.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 6 FractionCSP3: 0.29
AlogP: 5.1 Num_rotatable_bonds: 12
MolWt: 756.76 Num_heavy_atoms: 55
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
AD06571
Formula: C10H12O2

Smiles:
CCCc1ccc(C(=O)O)cc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.3
AlogP: 2.34 Num_rotatable_bonds: 3
MolWt: 164.2 Num_heavy_atoms: 12
TPSA: 37.3 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O