Glycoside
GD118092
Name:
3-formyl-4a-hydroxy-9-{[4-hydroxy-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-10-(hydroxymethyl)-3,6b,10,12a,12b,14a-hexamethyl-icosahydro-1H-piceno[13,12b-b]oxiren-2-yl 4-(methylamino)benzoateFormula:
C55H83O21NSmiles:
CNc1ccc(C(=O)OC2CC3(C)CCC4(C)C5(C)CCC6C(C)(CO)C(OC7OCC(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)CCC6(C)C5CC5OC54C3(O)CC2(C)C=O)cc1Aglycone:
CNc1ccc(C(=O)OC2CC3(C)CCC4(C)C5(C)CCC6C(C)(CO)C(O)CCC6(C)C5CC5OC54C3(O)CC2(C)C=O)cc1Sugarmoiety:
OCC1OC(OC2COC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 0.85 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 13 |
| MolWt: | 1094.26 | Num_heavy_atoms: | 77 |
| TPSA: | 345.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD47178
Formula: C38H55O7N
Smiles:
CNc1ccc(C(=O)OC2CC3(C)CCC4(C)C5(C)CCC6C(C)(CO)C(O)CCC6(C)C5CC5OC54C3(O)CC2(C)C=O)cc1| HBA: | 8 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 5.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 637.86 | Num_heavy_atoms: | 46 |
| TPSA: | 128.62 | NumAromaticRings: | 1 |
