Glycoside
...
GD107192

Name:
None

Formula:
C27H37O11N3

Smiles:
CC(=O)OC[C@@H]1O[C@H](N[C@@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 2 FractionCSP3: 0.7
AlogP: 0.7 Num_rotatable_bonds: 8
MolWt: 579.6 Num_heavy_atoms: 41
TPSA: 181.32 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
AD44290
Formula: C13H19O2N3

Smiles:
NC1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.69
AlogP: 0.99 Num_rotatable_bonds: 1
MolWt: 249.31 Num_heavy_atoms: 18
TPSA: 80.88 NumAromaticRings: 1

Sugarmoiety
SD00012

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