Glycoside
GD141084
Name:
7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2,6,6,10,19,19-hexamethyl-22-oxo-21-azahexacyclo[14.7.2.0¹,¹â´.0²,¹¹.0âµ,¹â°.0¹âµ,²â°]pentacos-13-ene-16-carboxylic acidFormula:
C37H55O10NSmiles:
CC1(C)CCC2(C(=O)O)CCC34CC(O)=NC1C2C3=CCC1C2(C)CCC(OC3OC(C(=O)O)C(O)C(O)C3O)C(C)(C)C2CCC14CAglycone:
CC1(C)CCC2(C(=O)O)CCC34CC(O)=NC1C2C3=CCC1C2(C)CCC(O)C(C)(C)C2CCC14CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 673.84 | Num_heavy_atoms: | 48 |
| TPSA: | 186.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD56863
Formula: C31H47O4N
Smiles:
CC1(C)CCC2(C(=O)O)CCC34CC(O)=NC1C2C3=CCC1C2(C)CCC(O)C(C)(C)C2CCC14C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 497.72 | Num_heavy_atoms: | 36 |
| TPSA: | 90.12 | NumAromaticRings: | 0 |
