Glycoside
...
GD027480

Name:
None

Formula:
C21H35O11N5

Smiles:
CC(=O)NCC1OC(O)C(NC(C)=O)C(O[C@H](C)C(=O)N[C@H](C)C(=O)NC(CCC(=O)O)C(N)=O)C1O

Aglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(N)=O.CNC(C)=O

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 1
HBD: 9 FractionCSP3: 0.71
AlogP: -4.18 Num_rotatable_bonds: 13
MolWt: 533.54 Num_heavy_atoms: 37
TPSA: 255.71 NumAromaticRings: 0

Unique Aglycone
AD00987
Formula: C11H19O6N3

Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(N)=O
HBA: 9 RingCount: 0
HBD: 6 FractionCSP3: 0.64
AlogP: -2.29 Num_rotatable_bonds: 8
MolWt: 289.29 Num_heavy_atoms: 20
TPSA: 158.82 NumAromaticRings: 0
AD01019
Formula: C3H7ON

Smiles:
CNC(C)=O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: -0.25 Num_rotatable_bonds: 0
MolWt: 73.09 Num_heavy_atoms: 5
TPSA: 29.1 NumAromaticRings: 0

Sugarmoiety
SD00020

CC(=O)NC1C(O)OC(O)C(O)C1O