Glycoside
GD019958
Name:
Periplogenin 3-O-Beta-DigitoxosideFormula:
C29H44O8Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)C[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 520.66 | Num_heavy_atoms: | 37 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD00285
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
