Glycoside
GD140512
Name:
2-[(2-{[2,16-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracosan-9-yl]oxy}-3,5-dihydroxyoxan-4-yl)oxy]oxane-3,4,5-triolFormula:
C40H64O14Smiles:
CC1CC2OC3(OC2C(C)(C)O)C(O)C2(C)C4CCC5C(C)(C)C(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6O)CCC56CC46CC(O)C2(C)C13Aglycone:
CC1CC2OC3(OC2C(C)(C)O)C(O)C2(C)C4CCC5C(C)(C)C(O)CCC56CC46CC(O)C2(C)C13Sugarmoiety:
OC1COC(OC2C(O)COC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 768.94 | Num_heavy_atoms: | 54 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD06483
Formula: C30H48O6
Smiles:
CC1CC2OC3(OC2C(C)(C)O)C(O)C2(C)C4CCC5C(C)(C)C(O)CCC56CC46CC(O)C2(C)C13| HBA: | 6 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
