Glycoside
GD004915
Name:
ANTIAROSIDE BFormula:
C35H54O14Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(CO)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@@]43O)C2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 698.8 | Num_heavy_atoms: | 49 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD01385
Formula: C23H34O5
Smiles:
CC12CCC3C(CCC4CC(O)CCC43CO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
