Glycoside
GD123228
Name:
Hellebortin AFormula:
C29H40O11Smiles:
CC12CCC3C(CCC4(OC5OC(CO)C(O)C(O)C5O)C=CCCC34O)C1(O)CC(O)C2c1ccc(=O)oc1Aglycone:
CC12CCC3C(CCC4(O)C=CCCC34O)C1(O)CC(O)C2c1ccc(=O)oc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 564.63 | Num_heavy_atoms: | 40 |
| TPSA: | 190.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD49712
Formula: C23H30O6
Smiles:
CC12CCC3C(CCC4(O)C=CCCC34O)C1(O)CC(O)C2c1ccc(=O)oc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 402.49 | Num_heavy_atoms: | 29 |
| TPSA: | 111.13 | NumAromaticRings: | 1 |
