Glycoside
GD016355
Name:
NoneFormula:
C46H66O14Smiles:
CCCCC(=O)[C@H](C)[C@]1(O)[C@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3OCC(=O)c3ccccc3)[C@H]2OC(C)=O)CC2C3CC=C4C[C@H](O)CC[C@@]4(C)C3CC[C@]21CAglycone:
CCCCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.O=C(CO)c1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 14 |
| MolWt: | 843.02 | Num_heavy_atoms: | 60 |
| TPSA: | 207.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD06007
Formula: C8H8O2
Smiles:
O=C(CO)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD11790
Formula: C26H42O4
Smiles:
CCCCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.62 | Num_heavy_atoms: | 30 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
