Glycoside

GD146366
Name:
3-[6-(1,2-dihydroxy-2-methylpropyl)-4-methyl-2-oxooxan-3-yl]-3,4,7,7-tetramethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]-dodecahydro-1H-cyclopropa[f]phenanthrene-4-carbaldehydeFormula:
C35H56O10Smiles:
CC1CC(C(O)C(C)(C)O)OC(=O)C1C1(C)CCC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C1(C)C=OAglycone:
CC1CC(C(O)C(C)(C)O)OC(=O)C1C1(C)CCC23CC24CCC(O)C(C)(C)C4CCC3C1(C)C=OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.94 |
AlogP: | 2.74 | Num_rotatable_bonds: | 6 |
MolWt: | 636.82 | Num_heavy_atoms: | 45 |
TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD58697
Formula: C30H48O6
Smiles:
CC1CC(C(O)C(C)(C)O)OC(=O)C1C1(C)CCC23CC24CCC(O)C(C)(C)C4CCC3C1(C)C=OHBA: | 6 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.93 |
AlogP: | 4.27 | Num_rotatable_bonds: | 4 |
MolWt: | 504.71 | Num_heavy_atoms: | 36 |
TPSA: | 104.06 | NumAromaticRings: | 0 |