Glycoside
...
GD009657

Name:
None

Formula:
C23H29O12N

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

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

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.52
AlogP: 1.53 Num_rotatable_bonds: 7
MolWt: 511.48 Num_heavy_atoms: 36
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
AD07554
Formula: C2H5O3N

Smiles:
CONC(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -0.18 Num_rotatable_bonds: 1
MolWt: 91.07 Num_heavy_atoms: 6
TPSA: 58.56 NumAromaticRings: 0

Sugarmoiety
SD00066

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