Glycoside
GD035886
Name:
NoneFormula:
C44H79O10N9Smiles:
CCCCCCCCCCCCCCCCC(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCN[C@H](C(=O)OC)[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1CC[C@H](n2ccc(=O)[nH]c2=O)C1Aglycone:
CCCCCCCCCCCCCCCCC(=O)NC(CCCNC(=N)N)C(=O)NCCCNC(C(=O)OC)C(O)C1CCC(n2ccc(=O)[nH]c2=O)C1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.82 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 33 |
| MolWt: | 894.17 | Num_heavy_atoms: | 63 |
| TPSA: | 298.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD22676
Formula: C39H70O7N8
Smiles:
CCCCCCCCCCCCCCCCC(=O)NC(CCCNC(=N)N)C(=O)NCCCNC(C(=O)OC)C(O)C1CCC(n2ccc(=O)[nH]c2=O)C1| HBA: | 15 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.79 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 30 |
| MolWt: | 763.04 | Num_heavy_atoms: | 54 |
| TPSA: | 233.52 | NumAromaticRings: | 1 |
