Glycoside
GD107060
Name:
NoneFormula:
C33H45O13N3SSmiles:
CC(C)CN(C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1Aglycone:
CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc(N)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 14 |
| MolWt: | 723.8 | Num_heavy_atoms: | 50 |
| TPSA: | 236.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD44271
Formula: C27H37O7N3S
Smiles:
CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc(N)cc1| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 11 |
| MolWt: | 547.67 | Num_heavy_atoms: | 38 |
| TPSA: | 140.42 | NumAromaticRings: | 2 |
