Glycoside
GD136686
Name:
5-carbamimidamido-2-{[(2,3,5-trihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl]amino}pentanoic acidFormula:
C18H34O12N4Smiles:
N=C(N)NCCCC(NCC1(O)OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)C(=O)OAglycone:
CNC(CCCNC(=N)N)C(=O)OSugarmoiety:
OCC1OC(OC2C(O)COC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.89 |
| AlogP: | -6.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 498.49 | Num_heavy_atoms: | 34 |
| TPSA: | 280.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD48295
Formula: C7H16O2N4
Smiles:
CNC(CCCNC(=N)N)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 188.23 | Num_heavy_atoms: | 13 |
| TPSA: | 111.23 | NumAromaticRings: | 0 |
