Glycoside
GD119697
Name:
6-[(4,5-dihydroxy-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl)oxy]-4,5-dihydroxy-2-methyloxan-3-yl acetateFormula:
C40H60O14Smiles:
C=C1COC2(OC3CC4C5CC=C6CC(O)CC(OC7OCC(O)C(O)C7OC7OC(C)C(OC(C)=O)C(O)C7O)C6(C)C5CCC4(C)C3C2C)C(O)C1Aglycone:
C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1Sugarmoiety:
CC(=O)OC1C(C)OC(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 764.91 | Num_heavy_atoms: | 54 |
| TPSA: | 203.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD08864
Formula: C27H40O5
Smiles:
C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 444.61 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
