Glycoside
GD156075
Name:
N-[3-carbamimidamido-4-({3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]-4-formyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl}oxy)-2,5,6-trihydroxycyclohexyl]guanidineFormula:
C21H39O12N7Smiles:
CNC1C(O)C(O)C(CO)OC1C1C(OC2C(O)C(O)C(NC(=N)N)C(O)C2NC(=N)N)OC(CO)C1(O)C=OAglycone:
CNC1COC(CO)C(O)C1O.N=C(N)NC1C(O)C(O)C(O)C(NC(=N)N)C1OSugarmoiety:
O=CC1(O)C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.86 |
| AlogP: | -8.5 | Num_rotatable_bonds: | 9 |
| MolWt: | 581.58 | Num_heavy_atoms: | 40 |
| TPSA: | 342.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD07399
Formula: C8H18O4N6
Smiles:
N=C(N)NC1C(O)C(O)C(O)C(NC(=N)N)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 12 | FractionCSP3: | 0.75 |
| AlogP: | -4.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.27 | Num_heavy_atoms: | 18 |
| TPSA: | 204.72 | NumAromaticRings: | 0 |
AD61835
Formula: C7H15O4N
Smiles:
CNC1COC(CO)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 177.2 | Num_heavy_atoms: | 12 |
| TPSA: | 81.95 | NumAromaticRings: | 0 |
