Glycoside
GD000195
Name:
NoneFormula:
C45H60O16N6S2Smiles:
O=C(CCCCCN=C(S)Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)Nc1cc(NC(=O)CCCCCN=C(S)Nc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc(C(=O)O)c1Aglycone:
O=C(CCCCCN=C(S)Nc1ccc(O)cc1)Nc1cc(NC(=O)CCCCCN=C(S)Nc2ccc(O)cc2)cc(C(=O)O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.49 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 23 |
| MolWt: | 1005.13 | Num_heavy_atoms: | 69 |
| TPSA: | 343.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD00232
Formula: C33H40O6N6S2
Smiles:
O=C(CCCCCN=C(S)Nc1ccc(O)cc1)Nc1cc(NC(=O)CCCCCN=C(S)Nc2ccc(O)cc2)cc(C(=O)O)c1| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | 6.59 | Num_rotatable_bonds: | 17 |
| MolWt: | 680.85 | Num_heavy_atoms: | 47 |
| TPSA: | 184.74 | NumAromaticRings: | 3 |
