Glycoside
GD152540
Name:
4-[4-hydroxy-2-(hydroxymethyl)-16-methyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]pentacyclo[9.7.0.0²,â¸.0â´,â¸.0¹²,¹â¶]octadecan-15-yl]-2,5-dihydrofuran-2-oneFormula:
C30H44O9Smiles:
CC1OC(OC2CC3(O)CC4(CO)C5CCC6(C)C(C7=CC(=O)OC7)CCC6C5CCC34C2)C(O)C(O)C1OAglycone:
CC12CCC3C(CCC45CC(O)CC4(O)CC35CO)C1CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 548.67 | Num_heavy_atoms: | 39 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD60731
Formula: C24H34O5
Smiles:
CC12CCC3C(CCC45CC(O)CC4(O)CC35CO)C1CCC2C1=CC(=O)OC1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 402.53 | Num_heavy_atoms: | 29 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
