Glycoside
GD155532
Name:
2-[(6-{5',11a-dimethyl-3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydro-1H-spiro[chryseno[2,1-b]furan-2,2'-oxane]oxy}-4,5-dihydroxy-2-methyloxan-3-yl)oxy]-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C43H68O16Smiles:
CC1CCC2(CC3C(CCC4C3CCC3C4CC=C4CC(OC5OC(C)C(OC6OC(COC7OCC(O)(CO)C7O)C(O)C(O)C6O)C(O)C5O)CCC43C)O2)OC1Aglycone:
CC1CCC2(CC3C(CCC4C3CCC3C4CC=C4CC(O)CCC43C)O2)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 841.0 | Num_heavy_atoms: | 59 |
| TPSA: | 235.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD61695
Formula: C26H40O3
Smiles:
CC1CCC2(CC3C(CCC4C3CCC3C4CC=C4CC(O)CCC43C)O2)OC1| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 0 |
| MolWt: | 400.6 | Num_heavy_atoms: | 29 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
