Glycoside
...
GD000765

Name:
None

Formula:
C49H82O16N4

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCN[C@H](C)c3ccc([N+](=O)[O-])cc3)[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)(OC)C[C@H](C)NC(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CC(NCCC(=O)O)c1ccc([N+](=O)[O-])cc1.CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)NC(=O)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 5 FractionCSP3: 0.82
AlogP: 3.94 Num_rotatable_bonds: 15
MolWt: 983.21 Num_heavy_atoms: 69
TPSA: 256.18 NumAromaticRings: 1

Unique Aglycone
AD00310
Formula: C30H56O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)NC(=O)C(C)C(O)C1(C)O
HBA: 12 RingCount: 2
HBD: 5 FractionCSP3: 0.93
AlogP: 0.81 Num_rotatable_bonds: 5
MolWt: 604.78 Num_heavy_atoms: 42
TPSA: 167.25 NumAromaticRings: 0
AD00811
Formula: C11H14O4N2

Smiles:
CC(NCCC(=O)O)c1ccc([N+](=O)[O-])cc1
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.36
AlogP: 1.72 Num_rotatable_bonds: 6
MolWt: 238.24 Num_heavy_atoms: 17
TPSA: 92.47 NumAromaticRings: 1

Sugarmoiety
SD00005

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