Glycoside
GD140420
Name:
2-{[2-hydroxy-22-(2-methoxypropan-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}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C37H60O10Smiles:
COC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC2OC(CO)C(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3OAglycone:
COC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 664.88 | Num_heavy_atoms: | 47 |
| TPSA: | 147.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD53522
Formula: C31H50O5
Smiles:
COC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 5 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 502.74 | Num_heavy_atoms: | 36 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
