Glycoside
GD134913
Name:
(25S)-26-(Beta-D-Glucopyranosyl)-22 Xi-Hydroxyfurost-12-One-3Beta-Yl-O-Al+Formula:
C63H104O34Smiles:
CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(OC9OC(C)C(O)C(O)C9O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C2C1CSugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 34 | RingCount: | 11 |
| HBD: | 20 | FractionCSP3: | 0.98 |
| AlogP: | -8.1 | Num_rotatable_bonds: | 21 |
| MolWt: | 1405.49 | Num_heavy_atoms: | 97 |
| TPSA: | 541.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD02296
Formula: C27H44O5
Smiles:
CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
Sugarmoiety
SD07856
CC1OC(OC2C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O