Glycoside
GD016479
Name:
NoneFormula:
C34H36O18NSmiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](NC(=O)O[C@@H]2O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](C)O1Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(NC(=O)O)C(O)C(C)O1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 746.65 | Num_heavy_atoms: | 53 |
| TPSA: | 308.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD11258
Formula: C28H29O12N
Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(NC(=O)O)C(O)C(C)O1| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 571.54 | Num_heavy_atoms: | 41 |
| TPSA: | 209.15 | NumAromaticRings: | 2 |
