Glycoside
GD014313
Name:
NoneFormula:
C39H62O13Smiles:
C[C@@H]1O[C@H](OC[C@H](C)CCC(=O)[C@H](C)[C@@H]2C(=O)C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]23C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 11 |
| MolWt: | 738.91 | Num_heavy_atoms: | 52 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD01405
Formula: C27H42O4
Smiles:
CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
