Glycoside
GD013877
Name:
ALPINDENOSIDE DFormula:
C34H52O15Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@@H]4C[C@H](C5=CCOC5=O)OC(O)[C@H]4CC[C@H]3C2(C)C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CC1(C)C(O)CCC2(C)C3CC(C4=CCOC4=O)OC(O)C3CCC12.COC(C)=OSugarmoiety:
CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 700.78 | Num_heavy_atoms: | 49 |
| TPSA: | 220.13 | 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 |
AD10291
Formula: C20H30O5
Smiles:
CC1(C)C(O)CCC2(C)C3CC(C4=CCOC4=O)OC(O)C3CCC12| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 350.46 | Num_heavy_atoms: | 25 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
