Glycoside
GD075419
Name:
NoneFormula:
C15H21O7N3SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cnc3n(c2=O)CCS3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cnc2n(c1=O)CCS2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 387.41 | Num_heavy_atoms: | 26 |
| TPSA: | 143.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD34932
Formula: C9H11O3N3S
Smiles:
O=C(NCCO)c1cnc2n(c1=O)CCS2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 241.27 | Num_heavy_atoms: | 16 |
| TPSA: | 84.22 | NumAromaticRings: | 1 |
