Glycoside
GD001672
Name:
NoneFormula:
C42H72O13N2Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)[C@H](n2ccc(C=O)c2)[C@H](C)[C@H](O)[C@]1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(n2ccc(C=O)c2)C(C)C(O)C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 813.04 | Num_heavy_atoms: | 57 |
| TPSA: | 198.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD01651
Formula: C34H58O10N2
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(n2ccc(C=O)c2)C(C)C(O)C1(C)O| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 654.84 | Num_heavy_atoms: | 46 |
| TPSA: | 171.15 | NumAromaticRings: | 1 |
