Glycoside
GD015669
Name:
G-52Formula:
C20H39O7N5Smiles:
CNCC1=CC[C@H](N)[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3OC[C@@](C)(O)[C@H](NC)[C@H]3O)[C@@H](N)C[C@H]2N)O1Aglycone:
CNCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.9 |
| AlogP: | -3.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 461.56 | Num_heavy_atoms: | 32 |
| TPSA: | 199.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD01989
Formula: C13H26O4N4
Smiles:
CNCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.85 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.38 | Num_heavy_atoms: | 21 |
| TPSA: | 149.01 | NumAromaticRings: | 0 |
