Glycoside
GD155850
Name:
4-amino-5-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-[(4-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]cyclohexane-1,2,3-triolFormula:
C23H45O15N5Smiles:
NCC1OC(OC2C(CO)OC(OC3C(O)C(O)C(O)C(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1OAglycone:
NC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)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
AD13160
Formula: C6H13O5N
Smiles:
NC1C(O)C(O)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -3.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 179.17 | Num_heavy_atoms: | 12 |
| TPSA: | 127.17 | NumAromaticRings: | 0 |
