Glycoside
GD123485
Name:
2-{[5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)-4-hydroxyoxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C29H55O19N5Smiles:
NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 21 | FractionCSP3: | 1.0 |
| AlogP: | -11.04 | Num_rotatable_bonds: | 12 |
| MolWt: | 777.78 | Num_heavy_atoms: | 53 |
| TPSA: | 426.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
