Glycoside
GD003795
Name:
NoneFormula:
C37H63O13NSmiles:
COC1CC(O[C@@H]2C(C)C(=O)O[C@H](C)[C@H](C)C(OC(C)=O)C(C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](OC3OC(C)CC(N(C)C)[C@H]3O)[C@H]2C)OC(C)[C@H]1OAglycone:
CC(=O)OC1C(C)C(=O)C2(CO2)CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(C)C1CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 729.91 | Num_heavy_atoms: | 51 |
| TPSA: | 172.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD03398
Formula: C30H51O10N
Smiles:
CC(=O)OC1C(C)C(=O)C2(CO2)CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(C)C1C| HBA: | 11 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 585.74 | Num_heavy_atoms: | 41 |
| TPSA: | 144.36 | NumAromaticRings: | 0 |
