Glycoside
GD125486
Name:
2'-hydroxy-16'-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5-oxo-7'-oxaspiro[oxolane-3,6'-pentacyclo[10.8.0.0²,â¹.0âµ,â¹.0¹³,¹â¸]icosane]-13'-carbaldehydeFormula:
C30H44O9Smiles:
COC1CC(OC2CCC3(C=O)C(CCC4C3CCC35COC6(COC(=O)C6)C3CCC45O)C2)OC(C)C1OAglycone:
O=CC12CCC(O)CC1CCC1C2CCC23COC4(COC(=O)C4)C2CCC13OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 548.67 | Num_heavy_atoms: | 39 |
| TPSA: | 120.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD50752
Formula: C23H32O6
Smiles:
O=CC12CCC(O)CC1CCC1C2CCC23COC4(COC(=O)C4)C2CCC13O| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
