Glycoside
GD015635
Name:
SARMENTOSIDE BFormula:
C34H48O13Smiles:
COC1C(O)C(O[C@@H]2CC[C@]3(C=O)C4C(CC[C@@]3(O)C2)[C@]2(O)CC[C@H](C3=CC(=O)OC3)[C@@]2(C)C[C@H]4OC(C)=O)OC(C)C1OC(C)=OAglycone:
CC(=O)OC1CC2(C)C(C3=CC(=O)OC3)CCC2(O)C2CCC3(O)CC(O)CCC3(C=O)C12Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 664.75 | Num_heavy_atoms: | 47 |
| TPSA: | 184.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD01958
Formula: C25H34O8
Smiles:
CC(=O)OC1CC2(C)C(C3=CC(=O)OC3)CCC2(O)C2CCC3(O)CC(O)CCC3(C=O)C12| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 462.54 | Num_heavy_atoms: | 33 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
