Glycoside
GD000164
Name:
NoneFormula:
C18H24O11N3ClSmiles:
CC(=O)OCC1OC(NC(=O)N(CCCl)N=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.NC(=O)N(CCCl)N=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 481.84 | Num_heavy_atoms: | 32 |
| TPSA: | 176.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD00200
Formula: C4H6O2N3Cl
Smiles:
NC(=O)N(CCCl)N=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 151.55 | Num_heavy_atoms: | 9 |
| TPSA: | 75.76 | NumAromaticRings: | 0 |
