Glycoside
...
GD025493

Name:
None

Formula:
C43H78O28N2

Smiles:
COC(=O)CCCCC(=O)NCC(=O)NC(COCOCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)(COCOCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)COCOCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(=O)CCCCC(=O)NCC(=O)NC(COCOCCCO)(COCOCCCO)COCOCCCO

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 3
HBD: 14 FractionCSP3: 0.93
AlogP: -7.72 Num_rotatable_bonds: 38
MolWt: 1071.08 Num_heavy_atoms: 73
TPSA: 438.02 NumAromaticRings: 0

Unique Aglycone
AD16896
Formula: C25H48O13N2

Smiles:
COC(=O)CCCCC(=O)NCC(=O)NC(COCOCCCO)(COCOCCCO)COCOCCCO
HBA: 15 RingCount: 0
HBD: 5 FractionCSP3: 0.88
AlogP: -1.19 Num_rotatable_bonds: 29
MolWt: 584.66 Num_heavy_atoms: 40
TPSA: 200.57 NumAromaticRings: 0

Sugarmoiety
SD00130

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O