Glycoside
GD153692
Name:
({4-amino-6-[(4,6-diamino-3-{[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl)oxy]-3,5-dihydroxyoxan-2-yl}methyl)carbamic acidFormula:
C19H38O10N6Smiles:
NCC1OC(OC2C(N)CC(N)C(OC3OC(CNC(=O)O)C(O)C(N)C3O)C2O)C(N)CC1OAglycone:
CNC(=O)O.NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1OSugarmoiety:
NC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.95 |
| AlogP: | -6.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.55 | Num_heavy_atoms: | 35 |
| TPSA: | 297.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD02993
Formula: C12H26O5N4
Smiles:
NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -4.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.36 | Num_heavy_atoms: | 21 |
| TPSA: | 183.23 | NumAromaticRings: | 0 |
AD04971
Formula: C2H5O2N
Smiles:
CNC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 75.07 | Num_heavy_atoms: | 5 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
