Glycoside
GD022283
Name:
NoneFormula:
C20H26O8N4SSmiles:
COc1cc(C2=NOC(CO[C@@H]3O[C@H](CSc4ncn[nH]4)[C@H](O)[C@H]3O)C2)cc(OC)c1OCAglycone:
COc1cc(C2=NOC(CO)C2)cc(OC)c1OC.CSc1ncn[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 10 |
| MolWt: | 482.52 | Num_heavy_atoms: | 33 |
| TPSA: | 149.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD11438
Formula: C3H5N3S
Smiles:
CSc1ncn[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 115.16 | Num_heavy_atoms: | 7 |
| TPSA: | 41.57 | NumAromaticRings: | 1 |
AD11440
Formula: C13H17O5N
Smiles:
COc1cc(C2=NOC(CO)C2)cc(OC)c1OC| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 267.28 | Num_heavy_atoms: | 19 |
| TPSA: | 69.51 | NumAromaticRings: | 1 |
