Glycoside
GD000575
Name:
NoneFormula:
C62H102O15Smiles:
CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](COC(=O)c4ccc(OCCCCCCCCCCCCCCCCCC)cc4)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)cc1.CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)cc1Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | 11.61 | Num_rotatable_bonds: | 44 |
| MolWt: | 1087.48 | Num_heavy_atoms: | 77 |
| TPSA: | 220.13 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
