Glycoside

GD119567
Name:
2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H26O12Smiles:
CC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(OC(=O)C=Cc2ccc(O)cc2)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 0.2 |
AlogP: | 2.75 | Num_rotatable_bonds: | 6 |
MolWt: | 578.53 | Num_heavy_atoms: | 42 |
TPSA: | 196.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1HBA: | 3 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
MolWt: | 164.16 | Num_heavy_atoms: | 12 |
TPSA: | 57.53 | NumAromaticRings: | 1 |
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 |