Glycoside
GD130020
Name:
Hellebortin BFormula:
C30H40O11Smiles:
CC12CCC3C(CCC4(OC5OC(CO)C(O)C(O)C5O)C5OC5CCC34C=O)C1(O)CCC2c1ccc(=O)oc1Aglycone:
CC12CCC3C(CCC4(O)C5OC5CCC34C=O)C1(O)CCC2c1ccc(=O)oc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 576.64 | Num_heavy_atoms: | 41 |
| TPSA: | 179.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD52680
Formula: C24H30O6
Smiles:
CC12CCC3C(CCC4(O)C5OC5CCC34C=O)C1(O)CCC2c1ccc(=O)oc1| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 414.5 | Num_heavy_atoms: | 30 |
| TPSA: | 100.27 | NumAromaticRings: | 1 |
