Glycoside
GD036120
Name:
NoneFormula:
C32H50O6N8Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2NCCCCCCCCNC(=O)c2cc3c(cn2)[nH]c2ccccc23)[C@H](N)[C@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(NCCCCCCCCNC(=O)c2cc3c(cn2)[nH]c2ccccc23)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 14 | FractionCSP3: | 0.62 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 14 |
| MolWt: | 642.8 | Num_heavy_atoms: | 46 |
| TPSA: | 253.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD22811
Formula: C26H38O3N6
Smiles:
NC1CC(N)C(O)C(NCCCCCCCCNC(=O)c2cc3c(cn2)[nH]c2ccccc23)C1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 482.63 | Num_heavy_atoms: | 35 |
| TPSA: | 162.31 | NumAromaticRings: | 3 |
