Glycoside
GD021997
Name:
NoneFormula:
C24H39O9N5Smiles:
CCCCCCCC(=O)NCCCC[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCCCCCC(=O)NCCCCC(N)C(=O)NCC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 16 |
| MolWt: | 541.6 | Num_heavy_atoms: | 38 |
| TPSA: | 226.07 | 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 |
AD14966
Formula: C16H31O4N3
Smiles:
CCCCCCCC(=O)NCCCCC(N)C(=O)NCC(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 14 |
| MolWt: | 329.44 | Num_heavy_atoms: | 23 |
| TPSA: | 121.52 | NumAromaticRings: | 0 |
