Glycoside
GD141702
Name:
7-hydroxy-2-methyl-5-({[(2-{[(pent-4-en-1-yloxy)carbonyl]amino}ethyl)carbamoyl]oxy}methyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydro-[1,3]dioxolo[4,5-b]pyran-2-carboxylic acidFormula:
C24H38O16N2Smiles:
C=CCCCOC(O)=NCCN=C(O)OCC1OC2OC(C)(C(=O)O)OC2C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
C=CCCCOC(O)=NCCN=C(O)OCC1OC2OC(C)(C(=O)O)OC2C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.79 |
| AlogP: | -2.7 | Num_rotatable_bonds: | 13 |
| MolWt: | 610.57 | Num_heavy_atoms: | 42 |
| TPSA: | 268.24 | NumAromaticRings: | 0 |
Unique Aglycone
AD56864
Formula: C18H28O11N2
Smiles:
C=CCCCOC(O)=NCCN=C(O)OCC1OC2OC(C)(C(=O)O)OC2C(O)C1O| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 448.43 | Num_heavy_atoms: | 31 |
| TPSA: | 189.09 | NumAromaticRings: | 0 |
