Glycoside
GD107178
Name:
NoneFormula:
C28H40O11Smiles:
CO[C@H]1[C@H](O)[C@@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@H]3C(=O)O[C@]3(O)C[C@@H]5[C@H](C)OC(=O)[C@]5(C)[C@@]43O)C2)O[C@@H](C)[C@H]1OAglycone:
CC1OC(=O)C2(C)C1CC1(O)OC(=O)C3C(CC=C4CC(O)CCC43C)C12OSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 552.62 | Num_heavy_atoms: | 39 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD44285
Formula: C21H28O7
Smiles:
CC1OC(=O)C2(C)C1CC1(O)OC(=O)C3C(CC=C4CC(O)CCC43C)C12O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 392.45 | Num_heavy_atoms: | 28 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
