Glycoside
GD116119
Name:
21Beta-O-Benzoylsitakisogenin 3-O-Beta-D-Glucopyranosyl(1-3)-Beta-D-Glucu+Formula:
C49H72O16Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)CC1OC(=O)c1ccccc1Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)CC1OC(=O)c1ccccc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.8 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 917.1 | Num_heavy_atoms: | 65 |
| TPSA: | 262.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD46060
Formula: C37H54O5
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)CC1OC(=O)c1ccccc1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 6.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 578.83 | Num_heavy_atoms: | 42 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
