Glycoside
...
GD000009

Name:
None

Formula:
C48H72O16N6

Smiles:
CN(CCO)[N+]([O-])=NOc1cc(NCCC(=O)O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(C(=O)O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]34C)C2(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-]

Aglycone:
CN(CCO)[N+]([O-])=NOc1cc(NCCC(=O)OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-]

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

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 6 FractionCSP3: 0.79
AlogP: 5.46 Num_rotatable_bonds: 15
MolWt: 989.13 Num_heavy_atoms: 70
TPSA: 312.19 NumAromaticRings: 1

Unique Aglycone
AD00011
Formula: C42H62O11N6

Smiles:
CN(CCO)[N+]([O-])=NOc1cc(NCCC(=O)OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-]
HBA: 17 RingCount: 6
HBD: 3 FractionCSP3: 0.76
AlogP: 8.2 Num_rotatable_bonds: 13
MolWt: 826.99 Num_heavy_atoms: 59
TPSA: 233.04 NumAromaticRings: 1

Sugarmoiety
SD00003

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