Glycoside

GD000598
Name:
(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-phenylprop-2-enoateFormula:
C30H26O12Smiles:
O=C(C=Cc1ccccc1)OC[C@@H]1O[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C=Cc1ccccc1.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 0.2 |
AlogP: | 2.02 | Num_rotatable_bonds: | 7 |
MolWt: | 578.53 | Num_heavy_atoms: | 42 |
TPSA: | 196.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD00567
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)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 |
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1HBA: | 2 | RingCount: | 1 |
HBD: | 0 | FractionCSP3: | 0.1 |
AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
MolWt: | 162.19 | Num_heavy_atoms: | 12 |
TPSA: | 26.3 | NumAromaticRings: | 1 |