Glycoside
...
GD025832

Name:
None

Formula:
C45H54O22

Smiles:
CCC(=O)O[C@@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO[C@@H]2O[C@H](C)[C@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]2OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC

Aglycone:
CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 4 FractionCSP3: 0.53
AlogP: 4.08 Num_rotatable_bonds: 18
MolWt: 946.9 Num_heavy_atoms: 67
TPSA: 305.85 NumAromaticRings: 3

Unique Aglycone
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
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

Sugarmoiety
SD00038

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O