Glycoside
GD129596
Name:
Dactylorhin AFormula:
C40H56O22Smiles:
CCC(C)C(CC(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)(OC1OC(CO)C(O)C(O)C1O)C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
CCC(C)C(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.65 |
| AlogP: | -4.18 | Num_rotatable_bonds: | 18 |
| MolWt: | 888.87 | Num_heavy_atoms: | 62 |
| TPSA: | 350.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD47103
Formula: C22H26O7
Smiles:
CCC(C)C(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 402.44 | Num_heavy_atoms: | 29 |
| TPSA: | 113.29 | NumAromaticRings: | 2 |
