Glycoside

GD155796
Name:
7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoateFormula:
C35H42O15Smiles:
COc1cc(C2Oc3c(OC)cc(C=CC(=O)OC4CC(C)(O)C5C(OC6OC(CO)C(O)C(O)C6O)OC=CC45)cc3C2CO)ccc1OAglycone:
COc1cc(C2Oc3c(OC)cc(C=CC(=O)OC4CC(C)(O)C5C(O)OC=CC45)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 6 |
HBD: | 7 | FractionCSP3: | 0.51 |
AlogP: | 0.62 | Num_rotatable_bonds: | 10 |
MolWt: | 702.71 | Num_heavy_atoms: | 50 |
TPSA: | 223.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD61754
Formula: C29H32O10
Smiles:
COc1cc(C2Oc3c(OC)cc(C=CC(=O)OC4CC(C)(O)C5C(O)OC=CC45)cc3C2CO)ccc1OHBA: | 10 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.41 |
AlogP: | 2.79 | Num_rotatable_bonds: | 7 |
MolWt: | 540.57 | Num_heavy_atoms: | 39 |
TPSA: | 144.14 | NumAromaticRings: | 2 |