Glycoside
GD093026
Name:
NoneFormula:
C21H26O10Smiles:
CC[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC)O[C@H]1COC(=O)c1ccccc1C(=O)OAglycone:
COC(=O)c1ccccc1C(=O)OSugarmoiety:
CCC1C(O)OC(OC)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 438.43 | Num_heavy_atoms: | 31 |
| TPSA: | 134.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD40382
Formula: C9H8O4
Smiles:
COC(=O)c1ccccc1C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 63.6 | NumAromaticRings: | 1 |
