Glycoside
GD018456
Name:
NoneFormula:
C35H59O14N5Smiles:
CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)[C@H](N)[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]1O)C(=O)OAglycone:
CCCCCCCCCCCCCCCC(=O)OCC(NC(=O)C(N)CO)C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.8 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 25 |
| MolWt: | 773.88 | Num_heavy_atoms: | 54 |
| TPSA: | 308.21 | 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 |
AD13016
Formula: C22H42O6N2
Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(NC(=O)C(N)CO)C(=O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 20 |
| MolWt: | 430.59 | Num_heavy_atoms: | 30 |
| TPSA: | 138.95 | NumAromaticRings: | 0 |
