Glycoside
GD033718
Name:
NoneFormula:
C44H63O13N7SSmiles:
NC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)O[C@H]2CSCCNC(=O)CCc2ccc3ccc4cccc5ccc2c3c45)[C@H](N)[C@H](O)[C@H]1OAglycone:
CSCCNC(=O)CCc1ccc2ccc3cccc4ccc1c2c34.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 19 | FractionCSP3: | 0.61 |
| AlogP: | -3.51 | Num_rotatable_bonds: | 16 |
| MolWt: | 930.09 | Num_heavy_atoms: | 65 |
| TPSA: | 361.98 | NumAromaticRings: | 4 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD21503
Formula: C22H21ONS
Smiles:
CSCCNC(=O)CCc1ccc2ccc3cccc4ccc1c2c34| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 347.48 | Num_heavy_atoms: | 25 |
| TPSA: | 29.1 | NumAromaticRings: | 4 |
