Glycoside
GD029788
Name:
NoneFormula:
C48H68O15Smiles:
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=Cc7ccccc7O)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=Cc3ccccc3O)CCC12OSugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 885.06 | Num_heavy_atoms: | 63 |
| TPSA: | 223.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD19336
Formula: C30H38O6
Smiles:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3=Cc3ccccc3O)CCC12O| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 494.63 | Num_heavy_atoms: | 36 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
