Glycoside
GD010461
Name:
NoneFormula:
C25H44O8N3ClSmiles:
CCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC)C1NC(=O)N(CCCl)N=OAglycone:
CCCCCCCCCCCCCC(=O)O.NC(=O)N(CCCl)N=OSugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 19 |
| MolWt: | 538.08 | Num_heavy_atoms: | 36 |
| TPSA: | 146.99 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD05231
Formula: C14H28O2
Smiles:
CCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 12 |
| MolWt: | 228.38 | Num_heavy_atoms: | 16 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
