Glycoside
GD000920
Name:
NoneFormula:
C44H81O13N3P2SSmiles:
CCCCCCCCCCCCCCCCCCSCC(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCSCC(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: | 0.89 |
| AlogP: | 9.04 | Num_rotatable_bonds: | 41 |
| MolWt: | 954.15 | Num_heavy_atoms: | 63 |
| 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 |
AD00963
Formula: C36H72O9P2S
Smiles:
CCCCCCCCCCCCCCCCCCSCC(COP(=O)([O-])OP(=O)([O-])OC)OC(=O)CCCCCCCCCCCCC| HBA: | 9 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.97 |
| AlogP: | 11.21 | Num_rotatable_bonds: | 38 |
| MolWt: | 742.98 | Num_heavy_atoms: | 48 |
| TPSA: | 134.25 | NumAromaticRings: | 0 |
