Glycoside
...
GD026528

Name:
None

Formula:
C49H74O16N6

Smiles:
CN(CCO)[N+]([O-])=NOc1cc(NCCCC(=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(NCCCC(=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: 0.8
AlogP: 5.85 Num_rotatable_bonds: 16
MolWt: 1003.16 Num_heavy_atoms: 71
TPSA: 312.19 NumAromaticRings: 1

Unique Aglycone
AD17479
Formula: C43H64O11N6

Smiles:
CN(CCO)[N+]([O-])=NOc1cc(NCCCC(=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: 0.77
AlogP: 8.59 Num_rotatable_bonds: 14
MolWt: 841.02 Num_heavy_atoms: 60
TPSA: 233.04 NumAromaticRings: 1

Sugarmoiety
SD00003

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