Glycoside
GD149414
Name:
4-{3-[(diaminomethylidene)amino]propyl}-2-(hydroxymethyl)-3-[3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonyloxy]-3aH-indol-3a-ideFormula:
C19H25O8N4Smiles:
N=C(N)NCCCc1cccc2[n-]c(CO)c(OC(=O)C3OC(O)(CO)C(O)C3O)c12Aglycone:
N=C(N)NCCCc1cccc2[n-]c(CO)c(OC=O)c12Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.47 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 437.43 | Num_heavy_atoms: | 31 |
| TPSA: | 212.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD59755
Formula: C14H17O3N4
Smiles:
N=C(N)NCCCc1cccc2[n-]c(CO)c(OC=O)c12| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 289.32 | Num_heavy_atoms: | 21 |
| TPSA: | 122.53 | NumAromaticRings: | 2 |
