Glycoside
GD029342
Name:
NoneFormula:
C24H31O9N3Cl2Smiles:
CCOC(=O)c1cc(CN(CCCl)CCCl)nn1[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CCOC(=O)C1=CC(CN(CCCl)CCCl)=N[N]1Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.68 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 12 |
| MolWt: | 552.41 | Num_heavy_atoms: | 36 |
| TPSA: | 135.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD05833
Formula: C13H16O2N3Cl2
Smiles:
CCOC(=O)C1=CC(CN(CCCl)CCCl)=N[N]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.64 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 293.17 | Num_heavy_atoms: | 18 |
| TPSA: | 56.0 | NumAromaticRings: | 0 |
