Glycoside
GD019170
Name:
NoneFormula:
C27H51O9N7Smiles:
CCN[C@@H]1C[C@H](N)[C@H](O[C@@H]2OC(CNC(=O)[C@H](C)NC(=O)[C@H](C)N)=CC[C@H]2N)[C@H](O)[C@H]1O[C@@H]1OC[C@@](C)(O)[C@H](NC)[C@H]1OAglycone:
CCNC1CC(N)C(OC2OC(CNC(=O)C(C)NC(=O)C(C)N)=CCC2N)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.85 |
| AlogP: | -4.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 617.75 | Num_heavy_atoms: | 43 |
| TPSA: | 257.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD13417
Formula: C20H38O6N6
Smiles:
CCNC1CC(N)C(OC2OC(CNC(=O)C(C)NC(=O)C(C)N)=CCC2N)C(O)C1O| HBA: | 12 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.8 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 458.56 | Num_heavy_atoms: | 32 |
| TPSA: | 207.21 | NumAromaticRings: | 0 |
