Glycoside
GD007635
Name:
NoneFormula:
C39H66O13Smiles:
C[C@H](CO)CCC(=O)[C@@H](C)C1C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12CAglycone:
CC(CO)CCC(=O)C(C)C1CC(O)C2C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 11 |
| MolWt: | 742.94 | Num_heavy_atoms: | 52 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD06193
Formula: C27H46O4
Smiles:
CC(CO)CCC(=O)C(C)C1CC(O)C2C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
