Glycoside
GD131345
Name:
2-(hydroxymethyl)-6-[(2-{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]oxane-3,4,5-triolFormula:
C41H66O13Smiles:
CC1CC2OC3(CC4(C)C5CCC6C(C)(C)C(OC7OCC(O)C(O)C7O)CCC67CC57CCC4(C)C13)OC2C(C)(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC1CC2OC3(CC4(C)C5CCC6C(C)(C)C(O)CCC67CC57CCC4(C)C13)OC2C(C)(C)OSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 766.97 | Num_heavy_atoms: | 54 |
| TPSA: | 196.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD53216
Formula: C30H48O4
Smiles:
CC1CC2OC3(CC4(C)C5CCC6C(C)(C)C(O)CCC67CC57CCC4(C)C13)OC2C(C)(C)O| HBA: | 4 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
