Glycoside
GD000227
Name:
NoneFormula:
C27H48O8N3ClSmiles:
CCCCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC)C1NC(=O)N(CCCl)N=OAglycone:
CCCCCCCCCCCCCCCC(=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: | 4.4 | Num_rotatable_bonds: | 21 |
| MolWt: | 566.14 | Num_heavy_atoms: | 38 |
| 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 |
AD00263
Formula: C16H32O2
Smiles:
CCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 256.43 | Num_heavy_atoms: | 18 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
