Glycoside
GD010177
Name:
ERYLOSIDE F6Formula:
C47H77O15NSmiles:
CC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)C5=C(CC[C@H]4C3(C)C)[C@]3(C(=O)O)CCC([C@H](C)CCC(C)(OC(C)=O)C(C)C)[C@@]3(C)CC5)O[C@@H](CO)[C@@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC(=O)OC(C)(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)CSugarmoiety:
CC(=O)NC1C(OC2C(O)OC(CO)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 14 |
| MolWt: | 896.13 | Num_heavy_atoms: | 63 |
| TPSA: | 251.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD07902
Formula: C33H54O5
Smiles:
CC(=O)OC(C)(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 7.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 530.79 | Num_heavy_atoms: | 38 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
