Glycoside
GD146252
Name:
2-[(2-{5-hydroxy-3,8,8,17,19-pentamethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracosan-22-yl}propan-2-yl)oxy]-6-methoxyoxane-3,4,5-triolFormula:
C41H66O14Smiles:
COC1OC(OC(C)(C)C2OC34CC5(C)C6C(O)CC7C(C)(C)C(OC8OCC(O)C(O)C8O)CCC78CC68CCC5(C)C3C(C)CC2O4)C(O)C(O)C1OAglycone:
CC1CC2OC3(CC4(C)C5C(O)CC6C(C)(C)C(O)CCC67CC57CCC4(C)C13)OC2C(C)(C)OSugarmoiety:
COC1OC(O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 782.97 | Num_heavy_atoms: | 55 |
| TPSA: | 206.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD05803
Formula: C30H48O5
Smiles:
CC1CC2OC3(CC4(C)C5C(O)CC6C(C)(C)C(O)CCC67CC57CCC4(C)C13)OC2C(C)(C)O| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
