Glycoside
GD132821
Name:
7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-1-hydroxy-5,10,22-trimethyl-15-oxahexacyclo[11.8.1.0²,¹¹.0âµ,¹â°.0¹â´,¹â¸.0¹â¹,²²]docos-17-en-16-oneFormula:
C30H44O7Smiles:
CC1OC(OC2CCC3(C)C4CC5C6OC(=O)C=C6C6CCC(O)(C4CCC3(C)C2)C65C)CC(O)C1OAglycone:
CC12CCC3C(CC4C5OC(=O)C=C5C5CCC3(O)C54C)C1(C)CCC(O)C2Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 516.68 | Num_heavy_atoms: | 37 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD53770
Formula: C24H34O4
Smiles:
CC12CCC3C(CC4C5OC(=O)C=C5C5CCC3(O)C54C)C1(C)CCC(O)C2| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 386.53 | Num_heavy_atoms: | 28 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
