Glycoside
GD024816
Name:
NoneFormula:
C22H28O8N4SSmiles:
CC(C)(SCc1ccccc1)[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CC(C)(SCc1ccccc1)C(N)C(=O)NCC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 508.55 | Num_heavy_atoms: | 35 |
| TPSA: | 196.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD16526
Formula: C14H20O3N2S
Smiles:
CC(C)(SCc1ccccc1)C(N)C(=O)NCC(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 296.39 | Num_heavy_atoms: | 20 |
| TPSA: | 92.42 | NumAromaticRings: | 1 |
