Glycoside
GD140239
Name:
15,16-Epoxy-3,8-Dihydroxy-19-Nor-4,13(16),14-Clerodatrien-17,12-Olid-18-Oic Acid; (3α,8α,12αH)-Form, 3-O-β-D-Glucopyranoside, Me EsterFormula:
C26H34O12Smiles:
COC(=O)C1=C2CCC3(O)C(=O)OC(c4ccoc4)CC3(C)C2CCC1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)C1=C2CCC3(O)C(=O)OC(c4ccoc4)CC3(C)C2CCC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 185.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD56545
Formula: C20H24O7
Smiles:
COC(=O)C1=C2CCC3(O)C(=O)OC(c4ccoc4)CC3(C)C2CCC1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 106.2 | NumAromaticRings: | 1 |
