Glycoside
GD136762
Name:
DihydrochalcomycinFormula:
C35H58O14Smiles:
COC1CC(C)OC(OC2C(C)C=CC(=O)OC(C)C(COC3OC(C)C(O)C(OC)C3OC)C3OC3CCC(=O)C(C)(O)CC2C)C1OAglycone:
CC1C=CC(=O)OC(C)C(CO)C2OC2CCC(=O)C(C)(O)CC(C)C1OSugarmoiety:
COC1C(O)OC(C)C(O)C1OC.COC1CC(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 702.84 | Num_heavy_atoms: | 49 |
| TPSA: | 181.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD08735
Formula: C20H32O7
Smiles:
CC1C=CC(=O)OC(C)C(CO)C2OC2CCC(=O)C(C)(O)CC(C)C1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 384.47 | Num_heavy_atoms: | 27 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
