Glycoside
GD134274
Name:
2-(3,4-dihydroxyphenyl)-5,9,10-trihydroxy-12-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,12-dihydro-1,7-dioxatetraphen-4-oneFormula:
C29H26O14Smiles:
CC1c2cc(O)c(O)cc2Oc2cc(O)c3c(=O)c(OC4OC(CO)C(O)C(O)C4O)c(-c4ccc(O)c(O)c4)oc3c21Aglycone:
CC1c2cc(O)c(O)cc2Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.28 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 598.51 | Num_heavy_atoms: | 43 |
| TPSA: | 239.97 | NumAromaticRings: | 4 |
Unique Aglycone
AD54325
Formula: C23H16O9
Smiles:
CC1c2cc(O)c(O)cc2Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.09 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 436.37 | Num_heavy_atoms: | 32 |
| TPSA: | 160.82 | NumAromaticRings: | 4 |
