Glycoside
GD156357
Name:
(25R)-26-[(Alpha-L-Rhamnopyranosyl)Oxy]-22Alpha-Methoxyfurost-5-En-3Beta-+Formula:
C54H88O24Smiles:
COC1(CCC(C)COC2OC(C)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(COC(C)=O)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)CCC5(C)C4CCC3(C)C2C1CAglycone:
COC(C)=O.COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(O)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 17 |
| MolWt: | 1121.27 | Num_heavy_atoms: | 78 |
| TPSA: | 361.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD00335
Formula: C28H46O4
Smiles:
COC1(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.67 | Num_heavy_atoms: | 32 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
