Glycoside
GD021033
Name:
NoneFormula:
C25H38O10N3PS2Smiles:
CC(C)(C)C(=O)SCCOP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]1O[C@H](n2cc3cc[nH]c3nc2=O)[C@H](O)[C@H]1OAglycone:
COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C.O=c1nc2[nH]ccc2c[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 12 |
| MolWt: | 635.7 | Num_heavy_atoms: | 41 |
| TPSA: | 179.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD01206
Formula: C15H29O6PS2
Smiles:
COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.87 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 400.5 | Num_heavy_atoms: | 24 |
| TPSA: | 78.9 | NumAromaticRings: | 0 |
AD14433
Formula: C6H5ON3
Smiles:
O=c1nc2[nH]ccc2c[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.13 | Num_heavy_atoms: | 10 |
| TPSA: | 61.54 | NumAromaticRings: | 2 |
