Glycoside

GD123835
Name:
5,7-dihydroxy-3-{[4-hydroxy-3,5-bis({[2-(4-hydroxyphenyl)ethenyl]oxy})-6-methyloxan-2-yl]oxy}-2-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C37H32O12Smiles:
CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(OC=Cc2ccc(O)cc2)C(O)C1OC=Cc1ccc(O)cc1Aglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12.OC=Cc1ccc(O)cc1.OC=Cc1ccc(O)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.16 |
AlogP: | 5.58 | Num_rotatable_bonds: | 9 |
MolWt: | 668.65 | Num_heavy_atoms: | 49 |
TPSA: | 188.51 | NumAromaticRings: | 5 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12HBA: | 6 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.0 |
AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
MolWt: | 286.24 | Num_heavy_atoms: | 21 |
TPSA: | 111.13 | NumAromaticRings: | 3 |
AD45000
Formula: C8H8O2
Smiles:
OC=Cc1ccc(O)cc1HBA: | 2 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | 1.92 | Num_rotatable_bonds: | 1 |
MolWt: | 136.15 | Num_heavy_atoms: | 10 |
TPSA: | 40.46 | NumAromaticRings: | 1 |