Glycoside
GD098535
Name:
NoneFormula:
C20H27O7N3SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)CC[C@H]2NC(=S)N(c3ccccc3)C2=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(CCC1NC(=S)N(c2ccccc2)C1=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 453.52 | Num_heavy_atoms: | 31 |
| TPSA: | 140.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD41898
Formula: C14H17O3N3S
Smiles:
O=C(CCC1NC(=S)N(c2ccccc2)C1=O)NCCO| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 307.38 | Num_heavy_atoms: | 21 |
| TPSA: | 81.67 | NumAromaticRings: | 1 |
