Glycoside
GD038440
Name:
(2r)-4-amino-n-{(1r,2s,3r,4r,5s)-5-amino-2-{2-[(2-aminoethyl)amino]ethoxy}-4-[(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamideFormula:
C20H43O8N7Smiles:
NCCNCCO[C@H]1[C@@H](NC(=O)[C@@H](O)CCN)C[C@@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@H](O)[C@H](O)[C@@H]2N)[C@H]1OAglycone:
NCCNCCOC1C(NC(=O)C(O)CCN)CC(N)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 16 | FractionCSP3: | 0.95 |
| AlogP: | -6.68 | Num_rotatable_bonds: | 13 |
| MolWt: | 509.61 | Num_heavy_atoms: | 35 |
| TPSA: | 279.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD24024
Formula: C14H31O5N5
Smiles:
NCCNCCOC1C(NC(=O)C(O)CCN)CC(N)C(O)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -4.43 | Num_rotatable_bonds: | 10 |
| MolWt: | 349.43 | Num_heavy_atoms: | 24 |
| TPSA: | 189.11 | NumAromaticRings: | 0 |
