Glycoside
GD024144
Name:
DIOSBULBISIDE AFormula:
C39H62O14Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3CC[C@]4(C)C(=CC[C@@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@H](C)[C@@]7(O)[C@@]6(C)CC[C@H]54)C3)O[C@@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1C2(CCC(C)(O)CO2)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21OSugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 754.91 | Num_heavy_atoms: | 53 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD16150
Formula: C27H42O5
Smiles:
CC1C2(CCC(C)(O)CO2)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21O| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
