Glycoside
...
GD004742

Name:
None

Formula:
C37H66O12N4

Smiles:
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1OC(O)[C@H](NC(C)=O)[C@H](OCC(=O)N[C@H](CC)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@H]1O

Aglycone:
CCC(NC(=O)CO)C(=O)NC(CCC(=O)O)C(N)=O.CCCCCCCCCCCCCCCCCC(=O)OC

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

Other Identifiers

Properties
HBA: 16 RingCount: 1
HBD: 8 FractionCSP3: 0.84
AlogP: 2.49 Num_rotatable_bonds: 30
MolWt: 758.95 Num_heavy_atoms: 53
TPSA: 252.91 NumAromaticRings: 0

Unique Aglycone
AD02574
Formula: C19H38O2

Smiles:
CCCCCCCCCCCCCCCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.95
AlogP: 6.42 Num_rotatable_bonds: 16
MolWt: 298.51 Num_heavy_atoms: 21
TPSA: 26.3 NumAromaticRings: 0
AD03007
Formula: C11H19O6N3

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

Sugarmoiety
SD00020

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