Glycoside
GD008887
Name:
NoneFormula:
C104H138O15Smiles:
CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](COC(=O)c4ccc(OCCCCCCCCCCCCCCCCCC)cc4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1Aglycone:
CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)cc1.CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)cc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 10 |
| HBD: | 0 | FractionCSP3: | 0.52 |
| AlogP: | 24.96 | Num_rotatable_bonds: | 62 |
| MolWt: | 1628.23 | Num_heavy_atoms: | 119 |
| TPSA: | 154.13 | NumAromaticRings: | 8 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00625
Formula: C26H44O3
Smiles:
CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.73 |
| AlogP: | 8.11 | Num_rotatable_bonds: | 19 |
| MolWt: | 404.64 | Num_heavy_atoms: | 29 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
