Glycoside
GD123520
Name:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl propanedioateFormula:
C24H22O15Smiles:
O=C(CC(=O)OC1OC(CO)C(O)C(O)C1O)Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=OAglycone:
O=C(O)CC(=O)Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 550.43 | Num_heavy_atoms: | 39 |
| TPSA: | 253.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD49859
Formula: C18H12O10
Smiles:
O=C(O)CC(=O)Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.28 | Num_heavy_atoms: | 28 |
| TPSA: | 174.73 | NumAromaticRings: | 3 |
