Glycoside
GD030424
Name:
NoneFormula:
C41H68O14Smiles:
COC[C@H](O)[C@@H]1O[C@H](O[C@@H]2C3=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](OC)[C@H]5O)[C@H]([C@H](C)C=CCC(C)C)[C@@]4(C)CC[C@H]3[C@]3(C)CC[C@H](O)C[C@H]3[C@H]2O)[C@H](O)[C@H]1OAglycone:
CC(C)CC=CC(C)C1C(O)CC2=C3C(O)C(O)C4CC(O)CCC4(C)C3CCC21C.COCCOSugarmoiety:
COC1C(O)C(O)OC(CO)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 13 |
| MolWt: | 784.98 | Num_heavy_atoms: | 55 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD19687
Formula: C27H44O4
Smiles:
CC(C)CC=CC(C)C1C(O)CC2=C3C(O)C(O)C4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
