Glycoside
GD155700
Name:
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C21H22O12Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2c1c(O)cc(O)c2C1(O)OC(CO)C(O)C(O)C1OAglycone:
O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 466.4 | Num_heavy_atoms: | 33 |
| TPSA: | 217.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00087
Formula: C15H12O6
Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
