Glycoside
GD001040
Name:
NoneFormula:
C40H66O13Smiles:
C[C@H]1CC[C@@]2(C[C@H]3C[C@@H]4[C@@H]5CC[C@@H]6C[C@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)C[C@@]6(C)[C@H]5CC[C@@]4(C)[C@@H]3[C@H]2C)OC1Aglycone:
CC1CCC2(CC3CC4C5CCC6CC(O)C(O)CC6(C)C5CCC4(C)C3C2C)OC1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 754.95 | Num_heavy_atoms: | 53 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD01080
Formula: C28H46O3
Smiles:
CC1CCC2(CC3CC4C5CCC6CC(O)C(O)CC6(C)C5CCC4(C)C3C2C)OC1| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.67 | Num_heavy_atoms: | 31 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
