Glycoside
...
GD010703

Name:
None

Formula:
C18H29O10N3

Smiles:
NC(=O)[C@@H]1CCCN1CC1OC(CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(O)C(O)C1O

Aglycone:
CC(=O)NC(CCC(=O)O)C(=O)O.CN1CCCC1C(N)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 8 FractionCSP3: 0.78
AlogP: -3.39 Num_rotatable_bonds: 10
MolWt: 447.44 Num_heavy_atoms: 31
TPSA: 219.95 NumAromaticRings: 0

Unique Aglycone
AD01099
Formula: C7H11O5N

Smiles:
CC(=O)NC(CCC(=O)O)C(=O)O
HBA: 6 RingCount: 0
HBD: 3 FractionCSP3: 0.57
AlogP: -0.56 Num_rotatable_bonds: 5
MolWt: 189.17 Num_heavy_atoms: 13
TPSA: 103.7 NumAromaticRings: 0
AD08229
Formula: C6H12ON2

Smiles:
CN1CCCC1C(N)=O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.83
AlogP: -0.43 Num_rotatable_bonds: 1
MolWt: 128.18 Num_heavy_atoms: 9
TPSA: 46.33 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O