Glycoside
GD010194
Name:
NoneFormula:
C22H28O9N4SSmiles:
CC(C)(SCc1cccc(O)c1)[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)(SCc1cccc(O)c1)C(N)C(=O)NCC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 524.55 | Num_heavy_atoms: | 36 |
| TPSA: | 217.2 | 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 |
AD07914
Formula: C14H20O4N2S
Smiles:
CC(C)(SCc1cccc(O)c1)C(N)C(=O)NCC(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 312.39 | Num_heavy_atoms: | 21 |
| TPSA: | 112.65 | NumAromaticRings: | 1 |
