Glycoside
GD034541
Name:
NoneFormula:
C21H43O11N5Smiles:
CC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(O)C1OCC(O)CNAglycone:
NC1CC(N)C(O)C(O)C1O.NCC(O)COSugarmoiety:
CC1OC(O)C(O)C(O)C1OCC(O)CN.NC(C(O)O)C(O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 1.0 |
| AlogP: | -6.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 541.6 | Num_heavy_atoms: | 37 |
| TPSA: | 297.63 | 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 |
AD05103
Formula: C3H9O2N
Smiles:
NCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 91.11 | Num_heavy_atoms: | 6 |
| TPSA: | 66.48 | NumAromaticRings: | 0 |
