Glycoside
GD030962
Name:
NoneFormula:
C48H89O15N3P2Smiles:
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC)OC(=O)CCCCCCCCCCCCCCCCC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 10.67 | Num_rotatable_bonds: | 44 |
| MolWt: | 1010.19 | Num_heavy_atoms: | 68 |
| TPSA: | 265.49 | 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 |
AD20004
Formula: C40H80O11P2
Smiles:
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC)OC(=O)CCCCCCCCCCCCCCCCC| HBA: | 11 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 12.84 | Num_rotatable_bonds: | 41 |
| MolWt: | 799.02 | Num_heavy_atoms: | 53 |
| TPSA: | 154.89 | NumAromaticRings: | 0 |
