Glycoside
GD155559
Name:
2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-14-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5-oxaspiro[hexacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸.0¹â¶,¹â¸]icosane-6,2'-oxan]-19-oloxy}oxane-3,4,5-triolFormula:
C39H62O14Smiles:
CC1COC2(CC1OC1OC(CO)C(O)C(O)C1O)OC1CC3C4CC(O)C56CC5CC(OC5OC(C)C(O)C(O)C5O)C6(C)C4CCC3(C)C1C2CAglycone:
CC1COC2(CC1O)OC1CC3C4CC(O)C56CC5CC(O)C6(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 754.91 | Num_heavy_atoms: | 53 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD51995
Formula: C27H42O5
Smiles:
CC1COC2(CC1O)OC1CC3C4CC(O)C56CC5CC(O)C6(C)C4CCC3(C)C1C2C| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
