Glycoside
GD130026
Name:
16'-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-8'-hydroxy-5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-19'-oneFormula:
C39H62O15Smiles:
CC1OC(OC2C(OC3CCC4(C)C(C3)C(=O)CC3C4CCC4(C)C3CC3OC5(CCC(CO)CO5)C(C)C34O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1C2(CCC(CO)CO2)OC2CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C21OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 770.91 | Num_heavy_atoms: | 54 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD52683
Formula: C27H42O6
Smiles:
CC1C2(CCC(CO)CO2)OC2CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C21O| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 462.63 | Num_heavy_atoms: | 33 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
