Glycoside
GD013846
Name:
NoneFormula:
C27H32O10N2SSmiles:
O=C(O)CC[C@H](NC(=O)CC1OC(CNC(=O)c2ccccc2CSc2ccccc2)C(O)C(O)C1O)C(=O)OAglycone:
CC(=O)NC(CCC(=O)O)C(=O)O.CNC(=O)c1ccccc1CSc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 13 |
| MolWt: | 576.62 | Num_heavy_atoms: | 40 |
| TPSA: | 202.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD01099
Formula: C7H11O5N
Smiles:
CC(=O)NC(CCC(=O)O)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 189.17 | Num_heavy_atoms: | 13 |
| TPSA: | 103.7 | NumAromaticRings: | 0 |
AD10270
Formula: C15H15ONS
Smiles:
CNC(=O)c1ccccc1CSc1ccccc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 257.36 | Num_heavy_atoms: | 18 |
| TPSA: | 29.1 | NumAromaticRings: | 2 |
