Glycoside
GD139123
Name:
(25R)-Kingianoside GFormula:
C45H70O20Smiles:
CC1COC2(OC3CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CC(=O)C4(C)C3C2C)C(O)C1Aglycone:
CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CC(=O)C4(C)C3C2C)C(O)C1Sugarmoiety:
OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -2.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 931.04 | Num_heavy_atoms: | 65 |
| TPSA: | 313.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD50928
Formula: C27H40O5
Smiles:
CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CC(=O)C4(C)C3C2C)C(O)C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 0 |
| MolWt: | 444.61 | Num_heavy_atoms: | 32 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
