Glycoside
GD124889
Name:
8-(3-{[2,3-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)-6-[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C40H52O23Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3OC3CC(CO)CC(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)c(O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12.OCC1CC(O)C(O)C(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 16 | FractionCSP3: | 0.62 |
| AlogP: | -5.05 | Num_rotatable_bonds: | 11 |
| MolWt: | 900.83 | Num_heavy_atoms: | 63 |
| TPSA: | 400.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
AD50487
Formula: C7H14O4
Smiles:
OCC1CC(O)C(O)C(O)C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.18 | Num_heavy_atoms: | 11 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
