Glycoside
GD124753
Name:
16'-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-ene-8',20'-diolFormula:
C38H60O14Smiles:
CC1CCC2(OC1)OC1CC3C4C(O)C=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1(O)C2CAglycone:
CC1CCC2(OC1)OC1CC3C4C(O)C=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 740.88 | Num_heavy_atoms: | 52 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD50418
Formula: C27H42O5
Smiles:
CC1CCC2(OC1)OC1CC3C4C(O)C=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
