Glycoside
GD009065
Name:
NoneFormula:
C41H62O10Smiles:
CC[C@H](C)[C@@H]1O[C@]2(CCC[C@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O)[C@H](C)O3)[C@H](C)C=CC=C(C)c3cc(O)c(C)cc3C(=O)O)O2)C[C@H](O)[C@H]1CAglycone:
CCC(C)C1OC2(CCCC(CC=C(C)C(O)C(C)C=CC=C(C)c3cc(O)c(C)cc3C(=O)O)O2)CC(O)C1CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | 7.32 | Num_rotatable_bonds: | 13 |
| MolWt: | 714.94 | Num_heavy_atoms: | 51 |
| TPSA: | 144.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD07153
Formula: C34H50O7
Smiles:
CCC(C)C1OC2(CCCC(CC=C(C)C(O)C(C)C=CC=C(C)c3cc(O)c(C)cc3C(=O)O)O2)CC(O)C1C| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 6.79 | Num_rotatable_bonds: | 10 |
| MolWt: | 570.77 | Num_heavy_atoms: | 41 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
