Glycoside
GD112526
Name:
AdynerinFormula:
C30H44O7Smiles:
CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]46CC[C@H](C4=CC(=O)OC4)[C@@]6(C)CC[C@H]35)C2)O[C@H](C)[C@@H]1OAglycone:
CC12CCC(O)CC1CCC13OC14CCC(C1=CC(=O)OC1)C4(C)CCC23Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 516.68 | Num_heavy_atoms: | 37 |
| TPSA: | 86.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD02504
Formula: C23H32O4
Smiles:
CC12CCC(O)CC1CCC13OC14CCC(C1=CC(=O)OC1)C4(C)CCC23| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 59.06 | NumAromaticRings: | 0 |
