Glycoside
GD135527
Name:
3-oxo-3-[(3,4,5-trihydroxy-6-{[15-(2-hydroxyethoxy)-14-methoxy-3-({1H,5H-pyrrolo[3,4-b]pyrrol-5-yl}methyl)-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2,4,6,11(16),12,14-hexaen-5-yl]oxy}oxan-2-yl)methoxy]propanoic acidFormula:
C34H36O14N2Smiles:
COc1ccc2c(c1OCCO)OC1c3c(Cn4cc5cc[nH]c5c4)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3OCC21Aglycone:
COC(=O)CC(=O)O.COc1ccc2c(c1OCCO)OC1c3c(Cn4cc5cc[nH]c5c4)cc(O)cc3OCC21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 12 |
| MolWt: | 696.66 | Num_heavy_atoms: | 50 |
| TPSA: | 220.62 | NumAromaticRings: | 4 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD49849
Formula: C25H24O6N2
Smiles:
COc1ccc2c(c1OCCO)OC1c3c(Cn4cc5cc[nH]c5c4)cc(O)cc3OCC21| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.48 | Num_heavy_atoms: | 33 |
| TPSA: | 98.1 | NumAromaticRings: | 4 |
