Glycoside
GD126230
Name:
Wattoside HFormula:
C33H52O15Smiles:
CC1COC2(CC1OC1OC(CO)C(O)C(O)C1O)OC1CC3C4C(O)C(=O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C1C2CAglycone:
CC1COC2(CC1O)OC1CC3C4C(O)C(=O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.97 |
| AlogP: | -3.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 688.76 | Num_heavy_atoms: | 48 |
| TPSA: | 256.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD51065
Formula: C27H42O10
Smiles:
CC1COC2(CC1O)OC1CC3C4C(O)C(=O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C1C2C| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 526.62 | Num_heavy_atoms: | 37 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
