Glycoside
GD128368
Name:
2-(hydroxymethyl)-6-(5',7,9,13-tetramethyl-4'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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:
C39H62O15Smiles:
CC1COC2(CC1OC1OC(CO)C(O)C(O)C1O)OC1CC3C4CC(O)C56CC5CC(OC5OC(CO)C(O)C(O)C5O)C6(C)C4CCC3(C)C1C2CAglycone:
CC1COC2(CC1O)OC1CC3C4CC(O)C56CC5CC(O)C6(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 770.91 | Num_heavy_atoms: | 54 |
| TPSA: | 237.45 | 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 |
