Glycoside
GD014147
Name:
NoneFormula:
C33H57O8N5Smiles:
CCCCCCCCCCCCCCCCNC(=O)[C@@H]1[C@H]([C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)O[C@H](CCCN)N1C(C)=OAglycone:
CCCCCCCCCCCCCCCCNC(=O)C1COC(CCCN)N1C(C)=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 21 |
| MolWt: | 651.85 | Num_heavy_atoms: | 46 |
| TPSA: | 189.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD10448
Formula: C25H49O3N3
Smiles:
CCCCCCCCCCCCCCCCNC(=O)C1COC(CCCN)N1C(C)=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 4.9 | Num_rotatable_bonds: | 19 |
| MolWt: | 439.69 | Num_heavy_atoms: | 31 |
| TPSA: | 84.66 | NumAromaticRings: | 0 |
