Glycoside
...
GD020772

Name:
None

Formula:
C25H33O12N

Smiles:
CCOC(=O)c1c(O)oc2c(C)c(O[C@@H]3OC(C)(C)[C@H](OC)[C@H](OC(=O)NOC(C)C)[C@H]3O)ccc2c1=O

Aglycone:
CC(C)ONC(=O)O.CCOC(=O)c1c(O)oc2c(C)c(O)ccc2c1=O

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.56
AlogP: 2.31 Num_rotatable_bonds: 8
MolWt: 539.53 Num_heavy_atoms: 38
TPSA: 172.22 NumAromaticRings: 2

Unique Aglycone
AD02315
Formula: C13H12O6

Smiles:
CCOC(=O)c1c(O)oc2c(C)c(O)ccc2c1=O
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.23
AlogP: 1.69 Num_rotatable_bonds: 2
MolWt: 264.23 Num_heavy_atoms: 19
TPSA: 96.97 NumAromaticRings: 2
AD14288
Formula: C4H9O3N

Smiles:
CC(C)ONC(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.75
AlogP: 0.59 Num_rotatable_bonds: 2
MolWt: 119.12 Num_heavy_atoms: 8
TPSA: 58.56 NumAromaticRings: 0

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C