Glycoside
...
GD013900

Name:
None

Formula:
C21H25O12N3

Smiles:
COc1nc2c(c(O)c(C)c(=O)n2OC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)n1C

Aglycone:
COc1nc2c(c(O)c(C)c(=O)n2O)c(=O)n1C

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 1 FractionCSP3: 0.52
AlogP: -1.3 Num_rotatable_bonds: 6
MolWt: 511.44 Num_heavy_atoms: 36
TPSA: 183.71 NumAromaticRings: 2

Unique Aglycone
AD10231
Formula: C10H11O5N3

Smiles:
COc1nc2c(c(O)c(C)c(=O)n2O)c(=O)n1C
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.3
AlogP: -0.64 Num_rotatable_bonds: 1
MolWt: 253.21 Num_heavy_atoms: 18
TPSA: 106.58 NumAromaticRings: 2

Sugarmoiety
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O