Glycoside
...
GD002460

Name:
None

Formula:
C21H36O9N2

Smiles:
CC1CCCC(N(C)CC2OC(CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(O)C(O)C2O)C1

Aglycone:
CC(=O)NC(CCC(=O)O)C(=O)O.CC1CCCC(N(C)C)C1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 6 FractionCSP3: 0.86
AlogP: -0.83 Num_rotatable_bonds: 10
MolWt: 460.52 Num_heavy_atoms: 32
TPSA: 176.86 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
AD02348
Formula: C9H19N

Smiles:
CC1CCCC(N(C)C)C1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 1.0
AlogP: 2.13 Num_rotatable_bonds: 1
MolWt: 141.26 Num_heavy_atoms: 10
TPSA: 3.24 NumAromaticRings: 0

Sugarmoiety
SD00017

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