Glycoside
GD015214
Name:
WITHALONGOLIDE MFormula:
C33H48O10Smiles:
CC1=C(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@H]([C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CCC5=C(C(=O)C[C@H](O)C5)[C@H]4CC[C@@]23C)OC1=OAglycone:
CC1=C(CO)CC(C(C)C2CCC3C4CCC5=C(C(=O)CC(O)C5)C4CCC23C)OC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 604.74 | Num_heavy_atoms: | 43 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD11077
Formula: C27H38O5
Smiles:
CC1=C(CO)CC(C(C)C2CCC3C4CCC5=C(C(=O)CC(O)C5)C4CCC23C)OC1=O| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 442.6 | Num_heavy_atoms: | 32 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
