Glycoside

GD130213
Name:
2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C31H38O12Smiles:
CC(C)=CCc1cc(C2Oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3C(=O)C2O)cc(O)c1OAglycone:
CC(C)=CCc1cc(C2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C2O)cc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 4 |
HBD: | 8 | FractionCSP3: | 0.45 |
AlogP: | 1.68 | Num_rotatable_bonds: | 8 |
MolWt: | 602.63 | Num_heavy_atoms: | 43 |
TPSA: | 206.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD52765
Formula: C25H28O7
Smiles:
CC(C)=CCc1cc(C2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C2O)cc(O)c1OHBA: | 7 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.32 |
AlogP: | 4.2 | Num_rotatable_bonds: | 5 |
MolWt: | 440.49 | Num_heavy_atoms: | 32 |
TPSA: | 127.45 | NumAromaticRings: | 2 |