Glycoside
GD155326
Name:
2,8-dihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-3-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C21H22O13Smiles:
O=C1c2cc(OCC3OC(O)C(O)C(O)C3O)cc(O)c2OC(O)C1c1cc(O)c(O)c(O)c1Aglycone:
COc1cc(O)c2c(c1)C(=O)C(c1cc(O)c(O)c(O)c1)C(O)O2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 482.39 | Num_heavy_atoms: | 34 |
| TPSA: | 226.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD61620
Formula: C16H14O8
Smiles:
COc1cc(O)c2c(c1)C(=O)C(c1cc(O)c(O)c(O)c1)C(O)O2| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.19 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.28 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 2 |
