Glycoside
GD008674
Name:
NoneFormula:
C31H46O11Smiles:
CO[C@@H]1[C@@H](O[C@@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@](O)(CC[C@@]5(O)C5=CC(=O)OC5)[C@H]4CC[C@@]3(O)C2)O[C@@H](C)[C@@H](O)[C@H]1OCAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2(O)C1=CC(=O)OC1Sugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 594.7 | Num_heavy_atoms: | 42 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD06898
Formula: C23H32O7
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2(O)C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 420.5 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
