Glycoside
GD010714
Name:
NoneFormula:
C22H22O12Smiles:
O=C(CCc1ccc(O)c(O)c1)OC(C(=O)O)C(OC(=O)CCc1ccc(O)c(O)c1)C(=O)OAglycone:
O=CCCc1ccc(O)c(O)c1.O=CCCc1ccc(O)c(O)c1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 478.41 | Num_heavy_atoms: | 34 |
| TPSA: | 208.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD08234
Formula: C9H10O3
Smiles:
O=CCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
