Glycoside
GD034291
Name:
majusanol e-13-o-beta-d-glucopyranosideFormula:
C21H32O12Smiles:
C[C@@H]1CC[C@]23O[C@]4(O)C[C@@]12[C@H](O)C(=O)OC[C@@]3(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@]4(C)OAglycone:
CC1CCC23OC4(O)CC12C(O)C(=O)OCC3(CO)C4(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | -3.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.48 | Num_heavy_atoms: | 33 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD21812
Formula: C15H22O7
Smiles:
CC1CCC23OC4(O)CC12C(O)C(=O)OCC3(CO)C4(C)O| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 314.33 | Num_heavy_atoms: | 22 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
