Glycoside
...
GD003391

Name:
None

Formula:
C48H80O15N4

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[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)(OCC=CNCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)C(=O)N[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)(OCC=CNCCc2ccc([N+](=O)[O-])cc2)CC(C)C(=O)NC(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 6 FractionCSP3: 0.79
AlogP: 3.36 Num_rotatable_bonds: 15
MolWt: 953.18 Num_heavy_atoms: 67
TPSA: 250.11 NumAromaticRings: 1

Unique Aglycone
AD03085
Formula: C40H66O12N4

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC=CNCCc2ccc([N+](=O)[O-])cc2)CC(C)C(=O)NC(C)C(O)C1(C)O
HBA: 16 RingCount: 3
HBD: 6 FractionCSP3: 0.75
AlogP: 2.44 Num_rotatable_bonds: 12
MolWt: 794.98 Num_heavy_atoms: 56
TPSA: 222.42 NumAromaticRings: 1

Sugarmoiety
SD00005

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