Glycoside
GD014972
Name:
NoneFormula:
C25H30O10N2Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)CCc2c[nH]c3ccccc23)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.NC(=O)CCc1c[nH]c2ccccc12Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 518.52 | Num_heavy_atoms: | 37 |
| TPSA: | 159.32 | NumAromaticRings: | 2 |
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 |
AD10953
Formula: C11H12ON2
Smiles:
NC(=O)CCc1c[nH]c2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 188.23 | Num_heavy_atoms: | 14 |
| TPSA: | 58.88 | NumAromaticRings: | 2 |
