Glycoside
GD143170
Name:
8-{[4-hydroxy-5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-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:
C40H60O14Smiles:
COC1CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(=CCC6C(=O)OC7COC8(C)OC=C(CCC65)C78)C4)OC3C)OC2C)OC(C)C1OAglycone:
CC12OC=C3CCC4C(CC=C5CC(O)CCC54C)C(=O)OC(CO1)C32Sugarmoiety:
COC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 764.91 | Num_heavy_atoms: | 54 |
| TPSA: | 170.06 | 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 |
