Glycoside
GD130897
Name:
6-[(6-{[6-({5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.0¹,¹â´.0â´,¹³.0âµ,¹â°.0¹â¹,²²]docosa-10,13-dien-8-yl}oxy)-4-methoxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl)oxy]-4-methoxy-2-methyloxan-3-olFormula:
C41H62O13Smiles:
COC1CC(OC2C(O)CC(OC3C(C)OC(OC4CCC5(C)C(=CCC6=C7OC8COC9(C)OCC7(CCC65)C89)C4)CC3OC)OC2C)OC(C)C1OAglycone:
CC12OCC3OC4=C5CC=C6CC(O)CCC6(C)C5CCC4(CO1)C32Sugarmoiety:
COC1CC(OC2C(O)CC(OC3C(C)OC(O)CC3OC)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 762.93 | Num_heavy_atoms: | 54 |
| TPSA: | 141.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD49015
Formula: C21H28O4
Smiles:
CC12OCC3OC4=C5CC=C6CC(O)CCC6(C)C5CCC4(CO1)C32| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 344.45 | Num_heavy_atoms: | 25 |
| TPSA: | 47.92 | NumAromaticRings: | 0 |
