Glycoside
GD154359
Name:
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-yl]-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C42H44O21Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2c1c(OC1OC(CO)C(O)C(O)C1O)cc(O)c2C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c21Aglycone:
O=C1CC(c2ccc(O)c(O)c2)Oc2c1c(O)cc(O)c2C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 8 |
| HBD: | 14 | FractionCSP3: | 0.4 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 884.79 | Num_heavy_atoms: | 63 |
| TPSA: | 355.67 | NumAromaticRings: | 4 |
Unique Aglycone
AD60710
Formula: C30H24O11
Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2c1c(O)cc(O)c2C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.17 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 560.51 | Num_heavy_atoms: | 41 |
| TPSA: | 197.37 | NumAromaticRings: | 4 |
