Glycoside
GD018635
Name:
NoneFormula:
C28H46O10Smiles:
C[C@H](CCCCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)O[C@@H]1O[C@H](C)[C@H](O)C[C@H]1OAglycone:
CC(O)CCCCC(=O)OC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3Sugarmoiety:
CC1OC(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 8 |
| MolWt: | 542.67 | Num_heavy_atoms: | 38 |
| TPSA: | 122.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD02021
Formula: C22H36O7
Smiles:
CC(O)CCCCC(=O)OC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.52 | Num_heavy_atoms: | 29 |
| TPSA: | 83.45 | NumAromaticRings: | 0 |
