Glycoside
GD021985
Name:
ASTERIIDOSIDE FFormula:
C37H62O14Smiles:
C[C@@H](C=CC[C@@H](C)CO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@@H]1[C@H](O)[C@H](O)[C@H]2[C@@]1(C)CC[C@H]1[C@@]2(O)C[C@H](O)[C@@H]2C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@]21CAglycone:
CC(CO)CC=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OSugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 9 |
| MolWt: | 730.89 | Num_heavy_atoms: | 51 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD14958
Formula: C27H46O6
Smiles:
CC(CO)CC=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.66 | Num_heavy_atoms: | 33 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
