Glycoside
GD005548
Name:
GITALOXINFormula:
C42H64O15Smiles:
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]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)[C@H](OC=O)C[C@@]65O)C4)C[C@H]3O)C[C@H]2O)C[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(OC=O)CC12OSugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 808.96 | Num_heavy_atoms: | 57 |
| TPSA: | 209.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD04703
Formula: C24H34O6
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(OC=O)CC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 418.53 | Num_heavy_atoms: | 30 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
