Glycoside
...
GD022662

Name:
None

Formula:
C54H76O16N6

Smiles:
CN(CCO)[N+]([O-])=NOc1cc(N[C@H](Cc2ccccc2)C(=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(NC(Cc2ccccc2)C(=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: 8
HBD: 6 FractionCSP3: 0.7
AlogP: 6.68 Num_rotatable_bonds: 16
MolWt: 1065.23 Num_heavy_atoms: 76
TPSA: 312.19 NumAromaticRings: 2

Unique Aglycone
AD15338
Formula: C48H66O11N6

Smiles:
CN(CCO)[N+]([O-])=NOc1cc(NC(Cc2ccccc2)C(=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: 7
HBD: 3 FractionCSP3: 0.67
AlogP: 9.42 Num_rotatable_bonds: 14
MolWt: 903.09 Num_heavy_atoms: 65
TPSA: 233.04 NumAromaticRings: 2

Sugarmoiety
SD00003

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