Glycoside
...
GD001826

Name:
None

Formula:
C25H28O13

Smiles:
COc1cc(C(=O)OC[C@@H]2O[C@H](Oc3ccc(O)c4c3C(=O)CCC4O)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1O

Aglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.O=C1CCC(O)c2c(O)ccc(O)c21

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 6 FractionCSP3: 0.44
AlogP: 0.17 Num_rotatable_bonds: 7
MolWt: 536.49 Num_heavy_atoms: 38
TPSA: 201.67 NumAromaticRings: 2

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
AD01787
Formula: C10H10O4

Smiles:
O=C1CCC(O)c2c(O)ccc(O)c21
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.3
AlogP: 1.11 Num_rotatable_bonds: 0
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 77.76 NumAromaticRings: 1

Sugarmoiety
SD00017

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