Glycoside
GD092036
Name:
NoneFormula:
C19H32O6N3SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H](c2ccsc2)N2CCC[NH2+]CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C(c1ccsc1)N1CCC[NH2+]CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.55 | Num_heavy_atoms: | 29 |
| TPSA: | 128.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD40172
Formula: C13H22O2N3S
Smiles:
O=C(NCCO)C(c1ccsc1)N1CCC[NH2+]CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 284.41 | Num_heavy_atoms: | 19 |
| TPSA: | 69.18 | NumAromaticRings: | 1 |
