Glycoside
...
GD024570

Name:
None

Formula:
C49H74O15N6

Smiles:
CCN(CC)[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:
CCN(CC)[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: 21 RingCount: 7
HBD: 5 FractionCSP3: 0.8
AlogP: 6.87 Num_rotatable_bonds: 15
MolWt: 987.16 Num_heavy_atoms: 70
TPSA: 291.96 NumAromaticRings: 1

Unique Aglycone
AD16381
Formula: C43H64O10N6

Smiles:
CCN(CC)[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: 16 RingCount: 6
HBD: 2 FractionCSP3: 0.77
AlogP: 9.62 Num_rotatable_bonds: 13
MolWt: 825.02 Num_heavy_atoms: 59
TPSA: 212.81 NumAromaticRings: 1

Sugarmoiety
SD00003

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