Glycoside
GD032382
Name:
NoneFormula:
C33H39O14NSmiles:
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](O[C@@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[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:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 673.67 | Num_heavy_atoms: | 48 |
| TPSA: | 244.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD10939
Formula: C27H29O11N
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: | 7 | FractionCSP3: | 0.44 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 543.53 | Num_heavy_atoms: | 39 |
| TPSA: | 206.07 | NumAromaticRings: | 2 |
