Glycoside
...
GD004173

Name:
None

Formula:
C49H82O15N4

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=CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)NC(=O)[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=CNC(C)Cc2ccc([N+](=O)[O-])cc2)CC(C)NC(=O)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 6 FractionCSP3: 0.8
AlogP: 3.75 Num_rotatable_bonds: 15
MolWt: 967.21 Num_heavy_atoms: 68
TPSA: 250.11 NumAromaticRings: 1

Unique Aglycone
AD03683
Formula: C41H68O12N4

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC=CNC(C)Cc2ccc([N+](=O)[O-])cc2)CC(C)NC(=O)C(C)C(O)C1(C)O
HBA: 16 RingCount: 3
HBD: 6 FractionCSP3: 0.76
AlogP: 2.83 Num_rotatable_bonds: 12
MolWt: 809.01 Num_heavy_atoms: 57
TPSA: 222.42 NumAromaticRings: 1

Sugarmoiety
SD00005

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