Glycoside
...
GD021709

Name:
None

Formula:
C49H81O15N7

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCc3cn(Cc4ccc([N+](=O)[O-])cc4)nn3)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(C)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O.O=C(O)NCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 5 FractionCSP3: 0.8
AlogP: 3.38 Num_rotatable_bonds: 13
MolWt: 1008.22 Num_heavy_atoms: 71
TPSA: 272.03 NumAromaticRings: 2

Unique Aglycone
AD00728
Formula: C30H58O9N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.97
AlogP: 0.98 Num_rotatable_bonds: 4
MolWt: 590.8 Num_heavy_atoms: 41
TPSA: 152.39 NumAromaticRings: 0
AD14792
Formula: C11H11O4N5

Smiles:
O=C(O)NCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1
HBA: 9 RingCount: 2
HBD: 2 FractionCSP3: 0.18
AlogP: 1.0 Num_rotatable_bonds: 5
MolWt: 277.24 Num_heavy_atoms: 20
TPSA: 123.18 NumAromaticRings: 2

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O