Glycoside
...
GD006134

Name:
None

Formula:
C23H31O13N3

Smiles:
CCC(=O)c1c(NOC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)nc(OC)n(C)c1=O

Aglycone:
CCC(=O)c1c(NO)nc(OC)n(C)c1=O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 16 RingCount: 2
HBD: 1 FractionCSP3: 0.61
AlogP: -0.19 Num_rotatable_bonds: 11
MolWt: 557.51 Num_heavy_atoms: 39
TPSA: 196.88 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD02535
Formula: C9H13O4N3

Smiles:
CCC(=O)c1c(NO)nc(OC)n(C)c1=O
HBA: 7 RingCount: 1
HBD: 2 FractionCSP3: 0.44
AlogP: 0.18 Num_rotatable_bonds: 4
MolWt: 227.22 Num_heavy_atoms: 16
TPSA: 93.45 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O