Glycoside
GD012513
Name:
NoneFormula:
C42H72O13N2Smiles:
C[C@H]1CC=CC=C[C@@H](O[C@@H]2CC[C@@H](N(C)C)[C@H](C)O2)[C@H](C)C[C@@H](CC=O)[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)C[C@@H](O)CC(=O)O1Aglycone:
CC1CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C(O)CC(O)CC(=O)O1Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 10 |
| MolWt: | 813.04 | Num_heavy_atoms: | 57 |
| TPSA: | 186.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD09425
Formula: C27H45O7N
Smiles:
CC1CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C(O)CC(O)CC(=O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 495.66 | Num_heavy_atoms: | 35 |
| TPSA: | 105.53 | NumAromaticRings: | 0 |
