Glycoside

GD117864
Name:
(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 2-phenylacetateFormula:
C29H26O13Smiles:
O=C(Cc1ccccc1)OCC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1OAglycone:
COC(=O)Cc1ccccc1.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 5 |
HBD: | 7 | FractionCSP3: | 0.24 |
AlogP: | 1.25 | Num_rotatable_bonds: | 7 |
MolWt: | 582.51 | Num_heavy_atoms: | 42 |
TPSA: | 216.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD00377
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12HBA: | 7 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.0 |
AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
MolWt: | 302.24 | Num_heavy_atoms: | 22 |
TPSA: | 131.36 | NumAromaticRings: | 3 |
AD00908
Formula: C9H10O2
Smiles:
COC(=O)Cc1ccccc1HBA: | 2 | RingCount: | 1 |
HBD: | 0 | FractionCSP3: | 0.22 |
AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
MolWt: | 150.18 | Num_heavy_atoms: | 11 |
TPSA: | 26.3 | NumAromaticRings: | 1 |