Glycoside
GD155154
Name:
NoneFormula:
C33H42O22Smiles:
COc1cc(OCC(O)C(O)C(O)C(O)C(=O)OCC(O)C(O)(OCC(O)C(O)C(O)C(O)C=O)C(O)C(O)C=O)c2c(O)c3c(=O)cc(C)oc3cc2c1Aglycone:
COc1ccc2c(O)c3c(=O)cc(C)oc3cc2c1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COC(O)(C(O)COC(=O)C(O)C(O)C(O)C(O)COO)C(O)C(O)C=OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.52 |
| AlogP: | -6.04 | Num_rotatable_bonds: | 21 |
| MolWt: | 790.68 | Num_heavy_atoms: | 55 |
| TPSA: | 381.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD61559
Formula: C15H12O4
Smiles:
COc1ccc2c(O)c3c(=O)cc(C)oc3cc2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 59.67 | NumAromaticRings: | 3 |
