Glycoside
GD014022
Name:
NoneFormula:
C30H35O6N2ClSmiles:
COC[C@@H]1O[C@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CCCN)[C@H](OCc2ccc(Cl)cc2)[C@H]1OAglycone:
NCCCC(N)=O.OCc1ccc(Cl)cc1.OCc1ccc2ccccc2c1Sugarmoiety:
COCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 12 |
| MolWt: | 543.06 | Num_heavy_atoms: | 38 |
| TPSA: | 112.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD00253
Formula: C8H7OCl
Smiles:
OCc1ccc(Cl)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.59 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD01045
Formula: C11H10O
Smiles:
OCc1ccc2ccccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.2 | Num_heavy_atoms: | 12 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
AD07839
Formula: C4H10ON2
Smiles:
NCCCC(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 102.14 | Num_heavy_atoms: | 7 |
| TPSA: | 69.11 | NumAromaticRings: | 0 |
