Glycoside
GD020487
Name:
NoneFormula:
C29H41O10N5Smiles:
C=CCn1c(=O)n(C2OC(COC(=O)CCC)[C@H](OC(=O)CCC)[C@H]2OC(=O)CCC)c2nc(NC(=O)CCC)nc(O)c21Aglycone:
C=CCn1c(=O)[nH]c2nc(NC(=O)CCC)nc(O)c21.CCCC(=O)O.CCCC(=O)O.CCCC(=O)OCSugarmoiety:
OCC1OC(O)OC1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 16 |
| MolWt: | 619.67 | Num_heavy_atoms: | 44 |
| TPSA: | 190.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD00922
Formula: C4H8O2
Smiles:
CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD01168
Formula: C5H10O2
Smiles:
CCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD14141
Formula: C12H15O3N5
Smiles:
C=CCn1c(=O)[nH]c2nc(NC(=O)CCC)nc(O)c21| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 277.28 | Num_heavy_atoms: | 20 |
| TPSA: | 112.9 | NumAromaticRings: | 2 |
