Glycoside
GD022104
Name:
NoneFormula:
C29H42O9Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(O)CC[C@@H]4[C@H](CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C=O)C2)C[C@H](O)[C@H]1OAglycone:
CC12CCC3C(CCC4(O)CCC(O)CC34C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 534.65 | Num_heavy_atoms: | 38 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD15024
Formula: C23H32O6
Smiles:
CC12CCC3C(CCC4(O)CCC(O)CC34C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
