Glycoside
GD118889
Name:
8-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-3-hydroxy-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:
C42H64O16Smiles:
COC1CC(OC2C(C)OC(OC3CCC4(C)C(=CCC5C(=O)OC6COC7(C)OC=C(CCC54)C67)C3)C(O)C2OC)OC(C)C1OC1OC(C)C(O)C(OC)C1OAglycone:
CC12OC=C3CCC4C(CC=C5CC(O)CCC54C)C(=O)OC(CO1)C32Sugarmoiety:
COC1CC(OC2C(C)OC(O)C(O)C2OC)OC(C)C1OC1OC(C)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 824.96 | Num_heavy_atoms: | 58 |
| TPSA: | 188.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD00194
Formula: C21H28O5
Smiles:
CC12OC=C3CCC4C(CC=C5CC(O)CCC54C)C(=O)OC(CO1)C32| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 360.45 | Num_heavy_atoms: | 26 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
