Glycoside
GD018618
Name:
NoneFormula:
C22H36O11N3PSSmiles:
CC(C)(C)C(=O)SCCOP(=O)(CCN1C[C@H](O)[C@H](O)C1)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(CCN1CC(O)C(O)C1)OCCSC(=O)C(C)(C)C.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 11 |
| MolWt: | 581.58 | Num_heavy_atoms: | 38 |
| TPSA: | 200.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD13102
Formula: C14H28O6NPS
Smiles:
COP(=O)(CCN1CC(O)C(O)C1)OCCSC(=O)C(C)(C)C| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 369.42 | Num_heavy_atoms: | 23 |
| TPSA: | 96.3 | NumAromaticRings: | 0 |
