Glycoside
...
GD021142

Name:
None

Formula:
C39H68O13N4

Smiles:
CCCCCCCCCCCCCCCCCC(=O)OCC(OC(C)=O)C1OC(O)C(NC(C)=O)C1OC(C)C(=O)N[C@H](C)C(=O)NC(CCC(=O)O)C(N)=O

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

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

Other Identifiers

Properties
HBA: 17 RingCount: 1
HBD: 7 FractionCSP3: 0.82
AlogP: 3.06 Num_rotatable_bonds: 31
MolWt: 800.99 Num_heavy_atoms: 56
TPSA: 258.98 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
AD14493
Formula: C22H42O4

Smiles:
CCCCCCCCCCCCCCCCCC(=O)OCCOC(C)=O
HBA: 4 RingCount: 0
HBD: 0 FractionCSP3: 0.91
AlogP: 6.35 Num_rotatable_bonds: 19
MolWt: 370.57 Num_heavy_atoms: 26
TPSA: 52.6 NumAromaticRings: 0

Sugarmoiety
SD01597

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