Glycoside
GD136987
Name:
15',16',18'-trihydroxy-5,7',9',13'-tetramethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-19'-oneFormula:
C33H52O12Smiles:
CC1COC2(CC1OC1OC(CO)C(O)C(O)C1O)OC1CC3C4CC(=O)C5(O)CC(O)C(O)CC5(C)C4CCC3(C)C1C2CAglycone:
CC1COC2(CC1O)OC1CC3C4CC(=O)C5(O)CC(O)C(O)CC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 640.77 | Num_heavy_atoms: | 45 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD55363
Formula: C27H42O7
Smiles:
CC1COC2(CC1O)OC1CC3C4CC(=O)C5(O)CC(O)C(O)CC5(C)C4CCC3(C)C1C2C| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 478.63 | Num_heavy_atoms: | 34 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
