Glycoside
...
GD026013

Name:
None

Formula:
C56H79O15N7

Smiles:
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](OC(=O)CCNc6cc(ON=[N+]([O-])N7CCN(Cc8ccccc8)CC7)c([N+](=O)[O-])cc6[N+](=O)[O-])C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)CCNc6cc(ON=[N+]([O-])N7CCN(Cc8ccccc8)CC7)c([N+](=O)[O-])cc6[N+](=O)[O-])C(C)(C)C5CCC43C)C2C1

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

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 5 FractionCSP3: 0.71
AlogP: 7.35 Num_rotatable_bonds: 15
MolWt: 1090.28 Num_heavy_atoms: 78
TPSA: 295.2 NumAromaticRings: 2

Unique Aglycone
AD17184
Formula: C50H69O10N7

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)CCNc6cc(ON=[N+]([O-])N7CCN(Cc8ccccc8)CC7)c([N+](=O)[O-])cc6[N+](=O)[O-])C(C)(C)C5CCC43C)C2C1
HBA: 17 RingCount: 8
HBD: 2 FractionCSP3: 0.68
AlogP: 10.09 Num_rotatable_bonds: 13
MolWt: 928.14 Num_heavy_atoms: 67
TPSA: 216.05 NumAromaticRings: 2

Sugarmoiety
SD00003

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