Glycoside

GD148829
Name:
3-ethenyl-3,4a,7,10a-tetramethyl-7-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-dodecahydro-1H-naphtho[2,1-b]pyran-8-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C37H54O12Smiles:
C=CC1(C)CCC2C(C)(CCC3C(C)(COC4OC(CO)C(O)C(O)C4O)C(OC(=O)C=Cc4cc(OC)c(O)c(OC)c4)CCC23C)O1Aglycone:
C=CC1(C)CCC2C(C)(CCC3C(C)(CO)C(OC(=O)C=Cc4cc(OC)c(O)c(OC)c4)CCC23C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.7 |
AlogP: | 3.5 | Num_rotatable_bonds: | 10 |
MolWt: | 690.83 | Num_heavy_atoms: | 49 |
TPSA: | 173.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD59535
Formula: C31H44O7
Smiles:
C=CC1(C)CCC2C(C)(CCC3C(C)(CO)C(OC(=O)C=Cc4cc(OC)c(O)c(OC)c4)CCC23C)O1HBA: | 7 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.65 |
AlogP: | 5.67 | Num_rotatable_bonds: | 7 |
MolWt: | 528.69 | Num_heavy_atoms: | 38 |
TPSA: | 94.45 | NumAromaticRings: | 1 |