Glycoside
GD135918
Name:
5-{[5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-5-hydroxy-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-2,3,4-triolFormula:
C29H55O18N5Smiles:
NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)CC3N)C2O)C(N)C(O)C1OC1C(CO)OC(O)C(O)C1OAglycone:
NC1CC(O)C(CO)OC1OC1C(N)CC(N)C(O)C1OSugarmoiety:
NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 20 | FractionCSP3: | 1.0 |
| AlogP: | -10.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 761.78 | Num_heavy_atoms: | 52 |
| TPSA: | 406.24 | NumAromaticRings: | 0 |
Unique Aglycone
AD05463
Formula: C12H25O6N3
Smiles:
NC1CC(O)C(CO)OC1OC1C(N)CC(N)C(O)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -4.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.35 | Num_heavy_atoms: | 21 |
| TPSA: | 177.44 | NumAromaticRings: | 0 |
