Glycoside
GD147219
Name:
6-[6-({2-[3,4-dihydroxy-5-(2-hydroxyethyl)phenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carbonyloxy]-3,3,4,5-tetrahydroxyoxane-2-carboxylic acidFormula:
C29H30O20Smiles:
O=C(OC1OC(C(=O)O)C(O)(O)C(O)C1O)C1OC(Oc2cc(O)c3c(=O)cc(-c4cc(O)c(O)c(CCO)c4)oc3c2)C(O)C(O)C1OAglycone:
O=c1cc(-c2cc(O)c(O)c(CCO)c2)oc2cc(O)cc(O)c12Sugarmoiety:
O=C(OC1OC(C(=O)O)C(O)(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.41 |
| AlogP: | -3.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 698.54 | Num_heavy_atoms: | 49 |
| TPSA: | 344.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD46301
Formula: C17H14O7
Smiles:
O=c1cc(-c2cc(O)c(O)c(CCO)c2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
