Glycoside

GD117015
Name:
5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C31H38O10Smiles:
CC(C)=CCc1cc(C2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C2OC2OC(C)C(O)C(O)C2O)ccc1OAglycone:
CC(C)=CCc1cc(C2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C2O)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 4 |
HBD: | 6 | FractionCSP3: | 0.45 |
AlogP: | 3.35 | Num_rotatable_bonds: | 7 |
MolWt: | 570.64 | Num_heavy_atoms: | 41 |
TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD46584
Formula: C25H28O6
Smiles:
CC(C)=CCc1cc(C2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)C2O)ccc1OHBA: | 6 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.32 |
AlogP: | 4.5 | Num_rotatable_bonds: | 5 |
MolWt: | 424.49 | Num_heavy_atoms: | 31 |
TPSA: | 107.22 | NumAromaticRings: | 2 |