Glycoside
GD032738
Name:
NoneFormula:
C33H39O17NSmiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(O)CO)C[C@H]3O[C@@H]1C[C@H](N)[C@H](OC2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@H](C)O1Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(O)CO)CC3OC1CC(N)C(O)C(C)O1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.55 |
| AlogP: | -2.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 721.67 | Num_heavy_atoms: | 51 |
| TPSA: | 305.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD20955
Formula: C27H31O11N
Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(O)CO)CC3OC1CC(N)C(O)C(C)O1| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 545.54 | Num_heavy_atoms: | 39 |
| TPSA: | 209.23 | NumAromaticRings: | 2 |
