Glycoside
GD005864
Name:
NoneFormula:
C46H89O12N3P2SSmiles:
CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OC[C@@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@H]1O)OCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OC)OCCCCCCCCCCCCCCCC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 11.56 | Num_rotatable_bonds: | 44 |
| MolWt: | 970.24 | Num_heavy_atoms: | 64 |
| TPSA: | 222.12 | 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 |
AD04915
Formula: C38H80O8P2S
Smiles:
CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OC)OCCCCCCCCCCCCCCCC| HBA: | 8 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 13.73 | Num_rotatable_bonds: | 41 |
| MolWt: | 759.06 | Num_heavy_atoms: | 49 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
