Glycoside
...
GD122523

Name:
Crassirhizomoside C

Formula:
C31H34O16

Smiles:
CC(=O)OC1C(Oc2c(-c3ccc(O)cc3)oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c2=O)OC(C)C(O)C1OC(C)=O

Aglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=O.CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 6 FractionCSP3: 0.45
AlogP: 0.43 Num_rotatable_bonds: 7
MolWt: 662.6 Num_heavy_atoms: 47
TPSA: 241.11 NumAromaticRings: 3

Unique Aglycone
AD00022
Formula: C15H10O6

Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 2.28 Num_rotatable_bonds: 1
MolWt: 286.24 Num_heavy_atoms: 21
TPSA: 111.13 NumAromaticRings: 3

Sugarmoiety
SD05509

CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=O.CC1OC(O)C(O)C(O)C1O