Glycoside
GD017868
Name:
DiginatinFormula:
C41H64O15Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5C[C@H](O)[C@]5(C)[C@H](C7=CC(=O)OC7)[C@H](O)C[C@@]65O)C4)C[C@H]3O)C[C@H]2O)C[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)C(O)CC12OSugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 796.95 | Num_heavy_atoms: | 56 |
| TPSA: | 223.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD12701
Formula: C23H34O6
Smiles:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)C(O)CC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
