Glycoside
GD114840
Name:
2-{1,5',11a,13a-tetramethyl-11-[(3,4,5-trihydroxyoxan-2-yl)oxy]-octadecahydro-1H-spiro[chryseno[2,1-b]furan-2,2'-oxane]-9,10-dioloxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C39H64O15Smiles:
CC1COC2(CC1OC1OC(CO)C(O)C(O)C1O)OC1CCC3C4CCC5CC(O)C(O)C(OC6OCC(O)C(O)C6O)C5(C)C4CCC3(C)C1C2CAglycone:
CC1COC2(CC1O)OC1CCC3C4CCC5CC(O)C(O)C(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 772.93 | Num_heavy_atoms: | 54 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD45318
Formula: C28H46O6
Smiles:
CC1COC2(CC1O)OC1CCC3C4CCC5CC(O)C(O)C(O)C5(C)C4CCC3(C)C1C2C| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 478.67 | Num_heavy_atoms: | 34 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
