Glycoside
GD144425
Name:
methyl 2-[2-(3,4-dihydroxyphenyl)-5,9,10-trihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,3,4,12-tetrahydro-1,7-dioxatetraphen-12-yl]acetateFormula:
C31H32O14Smiles:
COC(=O)CC1c2cc(O)c(O)cc2Oc2cc(O)c3c(c21)OC(c1ccc(O)c(O)c1)C(OC1OC(C)C(O)C(O)C1O)C3Aglycone:
COC(=O)CC1c2cc(O)c(O)cc2Oc2cc(O)c3c(c21)OC(c1ccc(O)c(O)c1)C(O)C3Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 628.58 | Num_heavy_atoms: | 45 |
| TPSA: | 225.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD58043
Formula: C25H22O10
Smiles:
COC(=O)CC1c2cc(O)c(O)cc2Oc2cc(O)c3c(c21)OC(c1ccc(O)c(O)c1)C(O)C3| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 482.44 | Num_heavy_atoms: | 35 |
| TPSA: | 166.14 | NumAromaticRings: | 3 |
