Glycoside
GD034021
Name:
NoneFormula:
C32H46O8N4S2Smiles:
CNC(=O)[C@H](CCSC)NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@H](O)[C@H](OCc1ccccc1)C(=O)N[C@H](CCSC)C(=O)NCAglycone:
CNC(=O)C(N)CCSC.CNC(=O)C(N)CCSC.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 21 |
| MolWt: | 678.87 | Num_heavy_atoms: | 46 |
| TPSA: | 175.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD10785
Formula: C6H14ON2S
Smiles:
CNC(=O)C(N)CCSC| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 162.26 | Num_heavy_atoms: | 10 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
