Glycoside
GD014500
Name:
NoneFormula:
C40H73O13N3P2SSmiles:
CCCCCCCCCCCCCCSCC(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCSCC(COP(=O)([O-])OP(=O)([O-])OC)OC(=O)CCCCCCCCCCCCC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 7.48 | Num_rotatable_bonds: | 37 |
| MolWt: | 898.05 | Num_heavy_atoms: | 59 |
| TPSA: | 244.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD10650
Formula: C32H64O9P2S
Smiles:
CCCCCCCCCCCCCCSCC(COP(=O)([O-])OP(=O)([O-])OC)OC(=O)CCCCCCCCCCCCC| HBA: | 9 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.97 |
| AlogP: | 9.65 | Num_rotatable_bonds: | 34 |
| MolWt: | 686.87 | Num_heavy_atoms: | 44 |
| TPSA: | 134.25 | NumAromaticRings: | 0 |
