Glycoside
GD112443
Name:
NoneFormula:
C34H50O10Smiles:
CO[C@H]1[C@@H](OC(C)=O)[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@@H]3C2)[C@H]1OC(C)=OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1C(OC(C)=O)C(C)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 618.76 | Num_heavy_atoms: | 44 |
| TPSA: | 126.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD01378
Formula: C23H34O4
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 374.52 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
