Glycoside
GD020780
Name:
PHYLLANTHOSTATIN 6Formula:
C36H48O16Smiles:
CC1CO[C@@]2(CC1OC(=O)C=Cc1ccccc1)OC1CC(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)CCC1[C@@]21CO1Aglycone:
CC1COC2(CC1OC(=O)C=Cc1ccccc1)OC1CC(C(=O)O)CCC1C21CO1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 736.76 | Num_heavy_atoms: | 52 |
| TPSA: | 232.66 | 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 |
