Glycoside
GD114337
Name:
(+)-Phyllanthostatin 3Formula:
C40H54O18Smiles:
CC(=O)OC1C(O)C(C)OC(OC2C(OC(=O)C3CCC4C(C3)OC3(CC(OC(=O)C=Cc5ccccc5)C(C)CO3)C4(O)CO)OC(C)C(O)C2OC(C)=O)C1OAglycone:
CC1COC2(CC1OC(=O)C=Cc1ccccc1)OC1CC(C(=O)O)CCC1C2(O)COSugarmoiety:
CC(=O)OC1C(O)C(C)OC(OC2C(O)OC(C)C(O)C2OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 10 |
| MolWt: | 822.85 | Num_heavy_atoms: | 58 |
| TPSA: | 252.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD44997
Formula: C24H30O8
Smiles:
CC1COC2(CC1OC(=O)C=Cc1ccccc1)OC1CC(C(=O)O)CCC1C2(O)CO| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.5 | Num_heavy_atoms: | 32 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
