Glycoside
GD033396
Name:
NoneFormula:
C49H67O14ClSmiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5C[C@H](O)[C@]5(C)[C@H](C7=CC(=O)OC7=Cc7ccc(Cl)cc7)CC[C@@]65O)C4)C[C@H]3O)C[C@H]2O)C[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3=Cc3ccc(Cl)cc3)CCC12OSugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 903.5 | Num_heavy_atoms: | 63 |
| TPSA: | 203.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD21313
Formula: C31H37O5Cl
Smiles:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3=Cc3ccc(Cl)cc3)CCC12O| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 513.07 | Num_heavy_atoms: | 36 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
