Glycoside
GD126454
Name:
5-amino-6-({2,4-diamino-6-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-3,5-dihydroxycyclohexyl}oxy)-2-(hydroxymethyl)oxane-3,4-diolFormula:
C23H45O15N5Smiles:
NCC1OC(OC2C(CO)OC(OC3C(O)C(N)C(O)C(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1OAglycone:
NC1C(O)C(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 19 | FractionCSP3: | 1.0 |
| AlogP: | -9.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 631.63 | Num_heavy_atoms: | 43 |
| TPSA: | 367.55 | NumAromaticRings: | 0 |
Unique Aglycone
AD44884
Formula: C6H14O4N2
Smiles:
NC1C(O)C(N)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -3.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.19 | Num_heavy_atoms: | 12 |
| TPSA: | 132.96 | NumAromaticRings: | 0 |
