Glycoside
GD013990
Name:
Phyllanthostatin 1Formula:
C40H52O17Smiles:
CC(=O)OC1C(C)OC(OC(=O)C2CCC3C(C2)OC2(CC(OC(=O)C=Cc4ccccc4)C(C)CO2)C32CO2)C(OC2OC(C)C(O)C(OC(C)=O)C2O)C1OAglycone:
CC1COC2(CC1OC(=O)C=Cc1ccccc1)OC1CC(C(=O)O)CCC1C21CO1Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC2OC(C)C(O)C(OC(C)=O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 804.84 | Num_heavy_atoms: | 57 |
| TPSA: | 224.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD10367
Formula: C24H28O7
Smiles:
CC1COC2(CC1OC(=O)C=Cc1ccccc1)OC1CC(C(=O)O)CCC1C21CO1| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.48 | Num_heavy_atoms: | 31 |
| TPSA: | 94.59 | NumAromaticRings: | 1 |
