Glycoside
GD014793
Name:
NoneFormula:
C53H80O13Smiles:
CCCCCCCCCCCCOC(=O)[C@H](C)[C@]1(O)[C@H](O[C@@H]2OC[C@H](O)[C@H](OCC=CC(=O)OCC)[C@H]2OC(=O)c2ccc(OC)cc2)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21CAglycone:
CCCCCCCCCCCCOC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.CCOC(=O)C=CCO.COc1ccc(C(=O)O)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 8.59 | Num_rotatable_bonds: | 23 |
| MolWt: | 925.21 | Num_heavy_atoms: | 66 |
| TPSA: | 176.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD01329
Formula: C8H8O3
Smiles:
COc1ccc(C(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD03236
Formula: C34H58O5
Smiles:
CCCCCCCCCCCCOC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 7.11 | Num_rotatable_bonds: | 13 |
| MolWt: | 546.83 | Num_heavy_atoms: | 39 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
AD10838
Formula: C6H10O3
Smiles:
CCOC(=O)C=CCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
