Glycoside
GD006689
Name:
NoneFormula:
C38H69O13N3P2SSmiles:
CCCCCCCCCCCCCCCC(=O)OC(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@H]1O)CSCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCC(=O)OC(COP(=O)([O-])OP(=O)([O-])OC)CSCCCCCCCCCC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 6.7 | Num_rotatable_bonds: | 35 |
| MolWt: | 869.99 | Num_heavy_atoms: | 57 |
| 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 |
AD05505
Formula: C30H60O9P2S
Smiles:
CCCCCCCCCCCCCCCC(=O)OC(COP(=O)([O-])OP(=O)([O-])OC)CSCCCCCCCCCC| HBA: | 9 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.97 |
| AlogP: | 8.87 | Num_rotatable_bonds: | 32 |
| MolWt: | 658.82 | Num_heavy_atoms: | 42 |
| TPSA: | 134.25 | NumAromaticRings: | 0 |
