Glycoside
GD133687
Name:
DeacetyltanghininFormula:
C30H44O9Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C(C2)CC2OC24C3CCC2(C)C(C3=CC(=O)OC3)CCC24O)C1OAglycone:
CC12CCC(O)CC1CC1OC13C2CCC1(C)C(C2=CC(=O)OC2)CCC13OSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 548.67 | Num_heavy_atoms: | 39 |
| TPSA: | 127.21 | 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 |
