Glycoside
GD036967
Name:
NoneFormula:
C35H43O14NSmiles:
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)C)[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)C)C(O)C(C)O1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 701.72 | Num_heavy_atoms: | 50 |
| TPSA: | 221.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD23309
Formula: C29H33O11N
Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N(C)C)C(O)C(C)O1| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 571.58 | Num_heavy_atoms: | 41 |
| TPSA: | 183.29 | NumAromaticRings: | 2 |
