Glycoside
GD124846
Name:
3,4,5-trihydroxy-6-[4-(4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl)phenoxy]oxane-2-carboxylic acidFormula:
C27H28O15Smiles:
O=C(O)C1OC(Oc2ccc(-c3coc4cc(OC5OC(CO)C(O)C(O)C5O)ccc4c3=O)cc2)C(O)C(O)C1OAglycone:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.41 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 592.51 | Num_heavy_atoms: | 42 |
| TPSA: | 246.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD04556
Formula: C15H10O4
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
