Glycoside
GD147934
Name:
2-{[3-(1-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-3,4a,7,7,10a-pentamethyl-dodecahydro-1H-naphtho[2,1-b]pyran-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H56O14Smiles:
CC1(C(O)COC2OC(CO)C(O)C(O)C2O)CCC2C(C)(CCC3C(C)(C)C(OC4OC(CO)C(O)C(O)C4O)CCC23C)O1Aglycone:
CC1(C(O)CO)CCC2C(C)(CCC3C(C)(C)C(O)CCC23C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 664.79 | Num_heavy_atoms: | 46 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD55606
Formula: C20H36O4
Smiles:
CC1(C(O)CO)CCC2C(C)(CCC3C(C)(C)C(O)CCC23C)O1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 340.5 | Num_heavy_atoms: | 24 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
