Glycoside
GD122264
Name:
17-hydroxy-17-(hydroxymethyl)-12-methyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-oxapentacyclo[14.2.1.0¹,¹³.0â´,¹².0âµ,â¹]nonadeca-5(9),6-dien-10-oneFormula:
C26H36O10Smiles:
CC12CC(=O)c3occc3C1CCC13CC(CC(OC4OC(CO)C(O)C(O)C4O)C12)C(O)(CO)C3Aglycone:
CC12CC(=O)c3occc3C1CCC13CC(CC(O)C12)C(O)(CO)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 508.56 | Num_heavy_atoms: | 36 |
| TPSA: | 170.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD47062
Formula: C20H26O5
Smiles:
CC12CC(=O)c3occc3C1CCC13CC(CC(O)C12)C(O)(CO)C3| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 346.42 | Num_heavy_atoms: | 25 |
| TPSA: | 90.9 | NumAromaticRings: | 1 |
