Glycoside
GD000290
Name:
NoneFormula:
C28H46O12N4Smiles:
CCCCCCCCCCCC(=O)N[C@H](C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCC(=O)NC(CO)C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.79 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 18 |
| MolWt: | 630.69 | Num_heavy_atoms: | 44 |
| TPSA: | 255.89 | 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 |
AD00334
Formula: C15H29O4N
Smiles:
CCCCCCCCCCCC(=O)NC(CO)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 13 |
| MolWt: | 287.4 | Num_heavy_atoms: | 20 |
| TPSA: | 86.63 | NumAromaticRings: | 0 |
