Glycoside
GD002879
Name:
NoneFormula:
C34H46O16N6Smiles:
CCCCCCCC(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C(=O)O)[C@@H]1O[C@H](n2cc(C(=O)O)c(=O)[nH]c2=O)[C@H](O)[C@H]1O)C(O)C(O)COC(N)=OAglycone:
CCCCCCCC(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NCC(=O)O)C(O)C(O)COC(N)=O.O=C(O)c1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.53 |
| AlogP: | -3.19 | Num_rotatable_bonds: | 21 |
| MolWt: | 794.77 | Num_heavy_atoms: | 56 |
| TPSA: | 359.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD02690
Formula: C25H38O9N4
Smiles:
CCCCCCCC(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NCC(=O)O)C(O)C(O)COC(N)=O| HBA: | 13 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 18 |
| MolWt: | 538.6 | Num_heavy_atoms: | 38 |
| TPSA: | 217.38 | NumAromaticRings: | 1 |
AD02691
Formula: C5H4O4N2
Smiles:
O=C(O)c1c[nH]c(=O)[nH]c1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.1 | Num_heavy_atoms: | 11 |
| TPSA: | 103.02 | NumAromaticRings: | 1 |
