Glycoside
GD029047
Name:
NoneFormula:
C30H44O11Smiles:
C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]43COC=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1Aglycone:
CC12CCC3C(CCC4CC(O)CCC43COC=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 580.67 | Num_heavy_atoms: | 41 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD18934
Formula: C24H34O6
Smiles:
CC12CCC3C(CCC4CC(O)CCC43COC=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.53 | Num_heavy_atoms: | 30 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
