Glycoside
GD125466
Name:
3,6-diamino-N-[4-amino-5-({N-[3,5-dihydroxy-2-(hydroxymethyl)-6-{[2,4,6-trihydroxy-3,5-bis(C-hydroxycarbonimidoyloxy)cyclohexyl]oxy}oxan-4-yl]carbamimidoyl}-C-hydroxycarbonimidoyl)pentyl]hexanimidic acidFormula:
C27H51O14N9Smiles:
N=C(N=C(O)CC(N)CCCN=C(O)CC(N)CCCN)NC1C(O)C(CO)OC(OC2C(O)C(OC(=N)O)C(O)C(OC(=N)O)C2O)C1OAglycone:
N=C(N)N=C(O)CC(N)CCCN=C(O)CC(N)CCCN.N=C(O)OC1C(O)C(O)C(O)C(OC(=N)O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 2 |
| HBD: | 20 | FractionCSP3: | 0.81 |
| AlogP: | -4.58 | Num_rotatable_bonds: | 17 |
| MolWt: | 725.75 | Num_heavy_atoms: | 50 |
| TPSA: | 425.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD50746
Formula: C13H29O2N7
Smiles:
N=C(N)N=C(O)CC(N)CCCN=C(O)CC(N)CCCN| HBA: | 9 | RingCount: | 0 |
| HBD: | 11 | FractionCSP3: | 0.77 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 11 |
| MolWt: | 315.42 | Num_heavy_atoms: | 22 |
| TPSA: | 193.11 | NumAromaticRings: | 0 |
AD50747
Formula: C8H14O8N2
Smiles:
N=C(O)OC1C(O)C(O)C(O)C(OC(=N)O)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.75 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.21 | Num_heavy_atoms: | 18 |
| TPSA: | 187.54 | NumAromaticRings: | 0 |
