Glycoside
GD010328
Name:
NoneFormula:
C42H77O13N3P2SSmiles:
CCCCCCCCCCCCCCCC(=O)OC(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@H]1O)CSCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)OC(COP(=O)([O-])OP(=O)([O-])OC)CSCCCCCCCCCCCCCC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 8.26 | Num_rotatable_bonds: | 39 |
| MolWt: | 926.1 | Num_heavy_atoms: | 61 |
| 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 |
AD07995
Formula: C34H68O9P2S
Smiles:
CCCCCCCCCCCCCCCC(=O)OC(COP(=O)([O-])OP(=O)([O-])OC)CSCCCCCCCCCCCCCC| HBA: | 9 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.97 |
| AlogP: | 10.43 | Num_rotatable_bonds: | 36 |
| MolWt: | 714.92 | Num_heavy_atoms: | 46 |
| TPSA: | 134.25 | NumAromaticRings: | 0 |
