Glycoside
GD113987
Name:
NoneFormula:
C32H50O5Smiles:
CO[C@@H]1O[C@@](OC)([C@H]2OC2(C)C)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12CAglycone:
CC1(C)C(=O)CCC2(C)C3CCC4(C)CCCC4(C)C3=CCC12.CC1(C)CO1Sugarmoiety:
COC1OC(O)(OC)CC1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.91 |
| AlogP: | 6.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.75 | Num_heavy_atoms: | 37 |
| TPSA: | 57.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD44846
Formula: C22H34O
Smiles:
CC1(C)C(=O)CCC2(C)C3CCC4(C)CCCC4(C)C3=CCC12| HBA: | 1 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | 5.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 314.51 | Num_heavy_atoms: | 23 |
| TPSA: | 17.07 | NumAromaticRings: | 0 |
AD44847
Formula: C4H8O
Smiles:
CC1(C)CO1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 72.11 | Num_heavy_atoms: | 5 |
| TPSA: | 12.53 | NumAromaticRings: | 0 |
