Glycoside
GD139665
Name:
3-oxo-3-{[3,4,5-trihydroxy-6-({3-[4-(hydroxyamino)phenyl]-14,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl}oxy)oxan-2-yl]methoxy}propanoic acidFormula:
C32H33O14NSmiles:
COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3-c3ccc(NO)cc3)OCC21Aglycone:
COC(=O)CC(=O)O.COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3ccc(NO)cc3)OCC21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 655.61 | Num_heavy_atoms: | 47 |
| TPSA: | 211.93 | NumAromaticRings: | 3 |
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 |
AD56321
Formula: C23H21O6N
Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3ccc(NO)cc3)OCC21| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 4.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 407.42 | Num_heavy_atoms: | 30 |
| TPSA: | 89.41 | NumAromaticRings: | 3 |
