Glycoside
GD121491
Name:
3-oxo-3-[(3,4,5-trihydroxy-6-{[14-(hydroxymethoxy)-15-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:
C33H34O14N2Smiles:
COc1c(OCO)ccc2c1OC1c3c(Cn4cc5cc[nH]c5c4)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3OCC21Aglycone:
COC(=O)CC(=O)O.COc1c(OCO)ccc2c1OC1c3c(Cn4cc5cc[nH]c5c4)cc(O)cc3OCC21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 11 |
| MolWt: | 682.64 | Num_heavy_atoms: | 49 |
| 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 |
AD48910
Formula: C24H22O6N2
Smiles:
COc1c(OCO)ccc2c1OC1c3c(Cn4cc5cc[nH]c5c4)cc(O)cc3OCC21| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.45 | Num_heavy_atoms: | 32 |
| TPSA: | 98.1 | NumAromaticRings: | 4 |
