Glycoside
GD037881
Name:
PhyllanthosideFormula:
C40H52O17Smiles:
CC(=O)O[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2[C@@H](OC(C)=O)[C@@H](O)[C@@H](C)O[C@@H]2OC(=O)[C@@H]2CC[C@@H]3[C@@H](C2)O[C@]2(C[C@@H](OC(=O)C=Cc4ccccc4)[C@H](C)CO2)[C@]32CO2)[C@H]1OAglycone:
CC1COC2(CC1OC(=O)C=Cc1ccccc1)OC1CC(C(=O)O)CCC1C21CO1Sugarmoiety:
CC(=O)OC1C(O)C(C)OC(OC2C(O)OC(C)C(O)C2OC(C)=O)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 |
