Glycoside
GD148361
Name:
2'-hydroxy-16'-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-13'-methyl-7'-oxaspiro[oxolane-3,6'-pentacyclo[10.8.0.0²,â¹.0âµ,â¹.0¹³,¹â¸]icosan]-5-oneFormula:
C36H56O14Smiles:
COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC35COC6(COC(=O)C6)C3CCC45O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC(O)CC1CCC1C2CCC23COC4(COC(=O)C4)C2CCC13OSugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 712.83 | Num_heavy_atoms: | 50 |
| TPSA: | 203.06 | 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 |
