Glycoside
GD133535
Name:
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C21H22O11Smiles:
O=C1CC(c2ccc(O)cc2)Oc2c1c(O)cc(O)c2C1(O)OC(CO)C(O)C(O)C1OAglycone:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 197.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD03294
Formula: C15H12O5
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
