Glycoside
GD008966
Name:
NoneFormula:
C32H40O15N2Smiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CC[C@@]4(C(=O)Nc5cc(O)ccc54)[C@H]3C[C@H]21Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCC4(C(=O)Nc5cc(O)ccc54)C3CC21Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -3.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 692.67 | Num_heavy_atoms: | 49 |
| TPSA: | 257.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD07091
Formula: C20H20O5N2
Smiles:
C=CC1C(O)OC=C2C(=O)N3CCC4(C(=O)Nc5cc(O)ccc54)C3CC21| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 99.1 | NumAromaticRings: | 1 |
