Glycoside
GD098613
Name:
NoneFormula:
C22H31O8N3SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)CNS(=O)(=O)c2cccc3c(N(C)C)cccc23)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CN(C)c1cccc2c(S(=O)(=O)NCC(=O)NCCO)cccc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 497.57 | Num_heavy_atoms: | 34 |
| TPSA: | 157.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD41940
Formula: C16H21O4N3S
Smiles:
CN(C)c1cccc2c(S(=O)(=O)NCC(=O)NCCO)cccc12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 351.43 | Num_heavy_atoms: | 24 |
| TPSA: | 98.74 | NumAromaticRings: | 2 |
