Glycoside
GD158258
Name:
7-({6-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-chromen-4-oneFormula:
C38H48O24Smiles:
CC1OC(OC2C(OCC3OC(Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c4)C(OC4OCC(O)C(O)C4O)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OC2C(OCC3OC(O)C(OC4OCC(O)C(O)C4O)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.61 |
| AlogP: | -4.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 888.78 | Num_heavy_atoms: | 62 |
| TPSA: | 387.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD00377
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
