Glycoside
GD017758
Name:
NoneFormula:
C23H40O8N3ClSmiles:
CCCCCCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1OAglycone:
CCCCCCCCCCCC(=O)OC.NC(=O)N(CCCl)N=OSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 17 |
| MolWt: | 510.03 | Num_heavy_atoms: | 34 |
| 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 |
AD11357
Formula: C13H26O2
Smiles:
CCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.92 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 10 |
| MolWt: | 214.35 | Num_heavy_atoms: | 15 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
