Glycoside
GD116908
Name:
7-hydroxy-8-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0â´,¹³.0âµ,¹â°.0¹â¹,²²]docosa-1(21),10-dien-14-oneFormula:
C42H64O15Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CC5=CCC6C(=O)OC7COC8(C)OC=C(CCC6C5(C)CC4O)C78)CC3OC)CC2OC)OC(C)C1OAglycone:
CC12OC=C3CCC4C(CC=C5CC(O)C(O)CC54C)C(=O)OC(CO1)C32Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)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
AD44956
Formula: C21H28O6
Smiles:
CC12OC=C3CCC4C(CC=C5CC(O)C(O)CC54C)C(=O)OC(CO1)C32| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 376.45 | Num_heavy_atoms: | 27 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
