Glycoside
GD125235
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)-6-{[3-(3-hydroxyphenyl)-14,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2,4,6,11(16),12,14-hexaen-5-yl]oxy}-2-[(methylamino)methyl]oxane-2-carboxylic acidFormula:
C32H35O13NSmiles:
CNCC1(C(=O)O)OC(CO)(Oc2cc3c(c(-c4cccc(O)c4)c2)C2Oc4c(ccc(OC)c4OC)C2CO3)C(O)C(O)C1OAglycone:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3cccc(O)c3)OCC21Sugarmoiety:
CNCC1(C(=O)O)OC(O)(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 641.63 | Num_heavy_atoms: | 46 |
| TPSA: | 205.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD48354
Formula: C23H20O6
Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3cccc(O)c3)OCC21| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 392.41 | Num_heavy_atoms: | 29 |
| TPSA: | 77.38 | NumAromaticRings: | 3 |
