Glycoside
...
GD031406

Name:
None

Formula:
C38H60O8N4

Smiles:
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(=O)CN=[N+]=[N-])C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.[N-]=[N+]=NCC(N)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 5 FractionCSP3: 0.89
AlogP: 5.49 Num_rotatable_bonds: 7
MolWt: 700.92 Num_heavy_atoms: 50
TPSA: 194.31 NumAromaticRings: 0

Unique Aglycone
AD00086
Formula: C30H48O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0
AD11291
Formula: C2H4ON4

Smiles:
[N-]=[N+]=NCC(N)=O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -0.22 Num_rotatable_bonds: 2
MolWt: 100.08 Num_heavy_atoms: 7
TPSA: 91.85 NumAromaticRings: 0

Sugarmoiety
SD00003

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