Glycoside
GD133417
Name:
2-[(3,5-dihydroxy-2-{[21-hydroxy-6,20-bis(hydroxymethyl)-1,2,6,10,17,17-hexamethyl-12-oxapentacyclo[12.8.0.0²,¹¹.0âµ,¹â°.0¹âµ,²â°]docos-13-en-7-yl]oxy}-6-methyloxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H68O14Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3OC=C3C5CC(C)(C)CCC5(CO)C(O)CC34C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
CC1(C)CCC2(CO)C(O)CC3(C)C(=COC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 784.98 | Num_heavy_atoms: | 55 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD54003
Formula: C29H48O5
Smiles:
CC1(C)CCC2(CO)C(O)CC3(C)C(=COC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 476.7 | Num_heavy_atoms: | 34 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
