Glycoside
GD155293
Name:
2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-8-(3,4,5,6-tetrahydroxyoxane-2-carbonyl)-4H-chromen-4-oneFormula:
C21H18O13Smiles:
O=C(c1c(O)c(O)c(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12)C1OC(O)C(O)C(O)C1OAglycone:
O=Cc1c(O)c(O)c(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.24 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 478.36 | Num_heavy_atoms: | 34 |
| TPSA: | 238.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD61608
Formula: C16H10O8
Smiles:
O=Cc1c(O)c(O)c(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.25 | Num_heavy_atoms: | 24 |
| TPSA: | 148.43 | NumAromaticRings: | 3 |
