Glycoside
GD145229
Name:
8-[6-(1,2-dihydroxy-2-methylpropyl)-4-methyl-2-oxooxan-3-yl]-4,4,7,8-tetramethyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,2H,3H,4H,4aH,5H,7H,8H,9H,10H,11H-cyclopropa[f]phenanthrene-7-carbaldehydeFormula:
C35H54O10Smiles:
CC1CC(C(O)C(C)(C)O)OC(=O)C1C1(C)CCC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CC=C3C1(C)C=OAglycone:
CC1CC(C(O)C(C)(C)O)OC(=O)C1C1(C)CCC23CC24CCC(O)C(C)(C)C4CC=C3C1(C)C=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 634.81 | Num_heavy_atoms: | 45 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD58307
Formula: C30H46O6
Smiles:
CC1CC(C(O)C(C)(C)O)OC(=O)C1C1(C)CCC23CC24CCC(O)C(C)(C)C4CC=C3C1(C)C=O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
