Glycoside
GD000948
Name:
NoneFormula:
C42H77O14N3P2Smiles:
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OP(=O)([O-])OC)OC(=O)CCCCCCCCCCCCC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 7.54 | Num_rotatable_bonds: | 39 |
| MolWt: | 910.03 | Num_heavy_atoms: | 61 |
| TPSA: | 254.08 | 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 |
AD00989
Formula: C34H68O10P2
Smiles:
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OP(=O)([O-])OC)OC(=O)CCCCCCCCCCCCC| HBA: | 10 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.97 |
| AlogP: | 9.71 | Num_rotatable_bonds: | 36 |
| MolWt: | 698.86 | Num_heavy_atoms: | 46 |
| TPSA: | 143.48 | NumAromaticRings: | 0 |
