Glycoside
...
GD016693

Name:
None

Formula:
C66H120O25N10

Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCCCCCCNC(=O)CCOCC(COCCC(=O)NCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)(COCCC(=O)NCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(=O)CCCCCCCCCCN=[N+]=[N-]

Aglycone:
[N-]=[N+]=NCCCCCCCCCCC(=O)NC(COCCC(=O)NCCCCCCO)(COCCC(=O)NCCCCCCO)COCCC(=O)NCCCCCCO

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

Other Identifiers

Properties
HBA: 35 RingCount: 3
HBD: 16 FractionCSP3: 0.89
AlogP: -1.21 Num_rotatable_bonds: 57
MolWt: 1453.73 Num_heavy_atoms: 101
TPSA: 517.6 NumAromaticRings: 0

Unique Aglycone
AD11983
Formula: C42H81O10N7

Smiles:
[N-]=[N+]=NCCCCCCCCCCC(=O)NC(COCCC(=O)NCCCCCCO)(COCCC(=O)NCCCCCCO)COCCC(=O)NCCCCCCO
HBA: 17 RingCount: 0
HBD: 7 FractionCSP3: 0.9
AlogP: 4.89 Num_rotatable_bonds: 45
MolWt: 844.15 Num_heavy_atoms: 59
TPSA: 253.54 NumAromaticRings: 0

Sugarmoiety
SD00390

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