Glycoside
GD139281
Name:
16-hydroxy-7,9,13-trimethyl-19-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan-6-oneFormula:
C28H44O8Smiles:
CC1OC(OC2CC3C(CCC4(C)C3CC3OC(=O)C(C)C34)C3(C)CCC(O)CC23)C(O)C(O)C1OAglycone:
CC1C(=O)OC2CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C21Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 508.65 | Num_heavy_atoms: | 36 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD45619
Formula: C22H34O4
Smiles:
CC1C(=O)OC2CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C21| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 362.51 | Num_heavy_atoms: | 26 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
