Glycoside
...
GD035212

Name:
None

Formula:
C25H26O14

Smiles:
COc1cc(C(=O)OC[C@@H]2O[C@H](Oc3c(O)c(OC)cc4ccc(=O)oc34)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1O

Aglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.COc1cc2ccc(=O)oc2c(O)c1O

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 5 FractionCSP3: 0.36
AlogP: 0.27 Num_rotatable_bonds: 8
MolWt: 550.47 Num_heavy_atoms: 39
TPSA: 203.81 NumAromaticRings: 3

Unique Aglycone
AD00094
Formula: C10H12O5

Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.3
AlogP: 1.2 Num_rotatable_bonds: 3
MolWt: 212.2 Num_heavy_atoms: 15
TPSA: 64.99 NumAromaticRings: 1
AD09781
Formula: C10H8O5

Smiles:
COc1cc2ccc(=O)oc2c(O)c1O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.1
AlogP: 1.21 Num_rotatable_bonds: 1
MolWt: 208.17 Num_heavy_atoms: 15
TPSA: 79.9 NumAromaticRings: 2

Sugarmoiety
SD00017

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