Glycoside
GD019906
Name:
RATHBUNIOSIDE R2Formula:
C32H56O9Smiles:
CC(C)[C@H](CC[C@H](C)[C@@H]1C[C@H](O)[C@@H]2[C@@H]3C[C@H](O)[C@]4(O)C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 584.79 | Num_heavy_atoms: | 41 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD13822
Formula: C27H48O5
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.68 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
