Glycoside
GD000848
Name:
NoneFormula:
C38H71O14N3P2Smiles:
CCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCC)COP(=O)(O)OP(=O)(O)OC[C@@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCC)COP(=O)(O)OP(=O)(O)OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 7.25 | Num_rotatable_bonds: | 35 |
| MolWt: | 855.94 | Num_heavy_atoms: | 57 |
| TPSA: | 248.42 | 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 |
AD00885
Formula: C30H62O10P2
Smiles:
CCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCC)COP(=O)(O)OP(=O)(O)OC| HBA: | 10 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 9.42 | Num_rotatable_bonds: | 32 |
| MolWt: | 644.76 | Num_heavy_atoms: | 42 |
| TPSA: | 137.82 | NumAromaticRings: | 0 |
