Glycoside
GD131135
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 15-{1-[4,5-dihydroxy-4-(propan-2-yl)oxolan-2-yl]ethyl}-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecane-7-carboxylateFormula:
C37H60O12Smiles:
CC(C1CC(O)(C(C)C)C(O)O1)C1CCC2(C)C3CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C(O)CC(O)C45CC35CCC12CAglycone:
CCC1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12CSugarmoiety:
CC(C)C1(O)CC(O)OC1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 696.88 | Num_heavy_atoms: | 49 |
| TPSA: | 206.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD53135
Formula: C24H38O4
Smiles:
CCC1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.56 | Num_heavy_atoms: | 28 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
