Glycoside
GD115225
Name:
5-amino-2-(aminomethyl)-6-({5-[(3,5-diamino-2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl}oxy)oxane-3,4-diolFormula:
C23H45O13N5Smiles:
NCC1OC(OC2C(CO)OC(OC3CC(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1OAglycone:
NC1CC(N)C(O)C(O)C1Sugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 1.0 |
| AlogP: | -7.83 | Num_rotatable_bonds: | 9 |
| MolWt: | 599.64 | Num_heavy_atoms: | 41 |
| TPSA: | 327.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD45537
Formula: C6H14O2N2
Smiles:
NC1CC(N)C(O)C(O)C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 146.19 | Num_heavy_atoms: | 10 |
| TPSA: | 92.5 | NumAromaticRings: | 0 |
