Glycoside
...
GD014072

Name:
None

Formula:
C31H30O13

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

Aglycone:
COC(=O)CCc1ccc(C)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: 13 RingCount: 5
HBD: 7 FractionCSP3: 0.29
AlogP: 1.95 Num_rotatable_bonds: 8
MolWt: 610.57 Num_heavy_atoms: 44
TPSA: 216.58 NumAromaticRings: 4

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
AD04925
Formula: C11H14O2

Smiles:
COC(=O)CCc1ccc(C)cc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.36
AlogP: 2.1 Num_rotatable_bonds: 3
MolWt: 178.23 Num_heavy_atoms: 13
TPSA: 26.3 NumAromaticRings: 1

Sugarmoiety
SD00017

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