Glycoside
GD110217
Name:
TanghininFormula:
C32H46O10Smiles:
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H](C[C@@H]4O[C@]45[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]35O)C2)[C@@H]1OC(C)=OAglycone:
CC12CCC(O)CC1CC1OC13C2CCC1(C)C(C2=CC(=O)OC2)CCC13OSugarmoiety:
COC1C(O)C(C)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 590.71 | Num_heavy_atoms: | 42 |
| TPSA: | 133.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD44600
Formula: C23H32O5
Smiles:
CC12CCC(O)CC1CC1OC13C2CCC1(C)C(C2=CC(=O)OC2)CCC13O| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 79.29 | NumAromaticRings: | 0 |
