Glycoside
GD128477
Name:
3,4,5-trihydroxy-6-({12-[1-(hydroxymethyl)cyclopentyl]-14,15-dimethoxy-3-phenyl-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl}oxy)oxane-2-carboxylic acidFormula:
C35H38O12Smiles:
COc1cc(C2(CO)CCCC2)c2c(c1OC)OC1c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3-c3ccccc3)OCC21Aglycone:
COc1cc(C2(CO)CCCC2)c2c(c1OC)OC1c3c(cc(O)cc3-c3ccccc3)OCC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 650.68 | Num_heavy_atoms: | 47 |
| TPSA: | 173.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD52040
Formula: C29H30O6
Smiles:
COc1cc(C2(CO)CCCC2)c2c(c1OC)OC1c3c(cc(O)cc3-c3ccccc3)OCC21| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 5.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.55 | Num_heavy_atoms: | 35 |
| TPSA: | 77.38 | NumAromaticRings: | 3 |
