Glycoside
GD029474
Name:
NoneFormula:
C45H72O18Smiles:
C[C@H]1CO[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@@H](O)[C@@H](O[C@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@H]7O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@@H]5CC[C@@]4(C)[C@@H]3[C@H]2C)[C@H](O)[C@H]1OAglycone:
CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 901.05 | Num_heavy_atoms: | 63 |
| TPSA: | 276.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD08131
Formula: C27H42O5
Smiles:
CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1O| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
