Glycoside
GD011006
Name:
NoneFormula:
C46H72O14Smiles:
CC=CC(=O)OC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4C=C[C@]46OC[C@]7(CCC(C)(C)C[C@@H]47)[C@H](O)C[C@]65C)[C@@]3(C)CO)O[C@@H](C)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1.CC=CC(=O)OCSugarmoiety:
CC1OC(O)C(O)C(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 849.07 | Num_heavy_atoms: | 60 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD00452
Formula: C30H48O4
Smiles:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD02571
Formula: C5H8O2
Smiles:
CC=CC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
