Glycoside
GD142233
Name:
4-{3-[(diaminomethylidene)amino]propyl}-3-[3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonyloxy]-3aH-indol-3a-ideFormula:
C18H23O7N4Smiles:
N=C(N)NCCCc1cccc2[n-]cc(OC(=O)C3OC(O)(CO)C(O)C3O)c12Aglycone:
N=C(N)NCCCc1cccc2[n-]cc(OC=O)c12Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 407.4 | Num_heavy_atoms: | 29 |
| TPSA: | 192.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD57245
Formula: C13H15O2N4
Smiles:
N=C(N)NCCCc1cccc2[n-]cc(OC=O)c12| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 259.29 | Num_heavy_atoms: | 19 |
| TPSA: | 102.3 | NumAromaticRings: | 2 |
