Glycoside
GD116224
Name:
8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-21-methoxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0â´,¹³.0âµ,¹â°.0¹â¹,²²]docosa-1,10-dien-14-oneFormula:
C42H64O15Smiles:
COC1OC2(C)OCC3OC(=O)C4CC=C5CC(OC6CC(OC)C(OC7CC(O)C(OC8CC(OC)C(O)C(C)O8)C(C)O7)C(C)O6)CCC5(C)C4CC=C1C32Aglycone:
COC1OC2(C)OCC3OC(=O)C4CC=C5CC(O)CCC5(C)C4CC=C1C32Sugarmoiety:
COC1CC(OC2C(O)CC(OC3C(C)OC(O)CC3OC)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 808.96 | Num_heavy_atoms: | 57 |
| TPSA: | 168.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD23024
Formula: C22H30O6
Smiles:
COC1OC2(C)OCC3OC(=O)C4CC=C5CC(O)CCC5(C)C4CC=C1C32| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.48 | Num_heavy_atoms: | 28 |
| TPSA: | 74.22 | NumAromaticRings: | 0 |
