Glycoside
GD008645
Name:
NoneFormula:
C27H44O15Smiles:
C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@]24OO3Aglycone:
CC1CCC2C(C)C(O)OC3OC4(C)CCC1C32OO4Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 608.63 | Num_heavy_atoms: | 42 |
| TPSA: | 215.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD01296
Formula: C15H24O5
Smiles:
CC1CCC2C(C)C(O)OC3OC4(C)CCC1C32OO4| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 0 |
| MolWt: | 284.35 | Num_heavy_atoms: | 20 |
| TPSA: | 57.15 | NumAromaticRings: | 0 |
