Glycoside
GD115806
Name:
7-hydroxy-3-[7-hydroxy-4-(4-hydroxyphenyl)-2-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-3-yl]-4-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-2-oneFormula:
C42H42O20Smiles:
O=C1Oc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c2C(c2ccc(O)cc2)C1C1C(=O)Oc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c2C1c1ccc(O)cc1Aglycone:
O=C1Oc2cc(O)cc(O)c2C(c2ccc(O)cc2)C1C1C(=O)Oc2cc(O)cc(O)c2C1c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.38 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 866.78 | Num_heavy_atoms: | 62 |
| TPSA: | 332.28 | NumAromaticRings: | 4 |
Unique Aglycone
AD45878
Formula: C30H22O10
Smiles:
O=C1Oc2cc(O)cc(O)c2C(c2ccc(O)cc2)C1C1C(=O)Oc2cc(O)cc(O)c2C1c1ccc(O)cc1| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.13 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 542.5 | Num_heavy_atoms: | 40 |
| TPSA: | 173.98 | NumAromaticRings: | 4 |
