Glycoside
GD145114
Name:
16'-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-2'-hydroxy-13'-methyl-7'-oxaspiro[oxolane-3,6'-pentacyclo[10.8.0.0²,â¹.0âµ,â¹.0¹³,¹â¸]icosan]-5-oneFormula:
C30H46O9Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3CCC35COC6(COC(=O)C6)C3CCC45O)C2)C1OAglycone:
CC12CCC(O)CC1CCC1C2CCC23COC4(COC(=O)C4)C2CCC13OSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 550.69 | Num_heavy_atoms: | 39 |
| TPSA: | 123.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD50213
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1CCC1C2CCC23COC4(COC(=O)C4)C2CCC13O| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.96 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
