Glycoside
GD075430
Name:
NoneFormula:
C16H21O7N3SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cnc3c(c2)NC(=O)CS3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C1CSc2ncc(C(=O)NCCO)cc2N1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 399.43 | Num_heavy_atoms: | 27 |
| TPSA: | 150.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD34942
Formula: C10H11O3N3S
Smiles:
O=C1CSc2ncc(C(=O)NCCO)cc2N1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 253.28 | Num_heavy_atoms: | 17 |
| TPSA: | 91.32 | NumAromaticRings: | 1 |
