Glycoside
GD145169
Name:
15,16-epoxy-3-hydroxy-19-nor-4,13(16),14-clerodatrien-17,21-olid-18-oic acid; (3α,8α,12αh)-form, 3-o-β-d-glucopyranoside, 18-me esterFormula:
C26H34O11Smiles:
COC(=O)C1=C2CCC3C(=O)OC(c4ccoc4)CC3(C)C2CCC1OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)C1=C2CCC3C(=O)OC(c4ccoc4)CC3(C)C2CCC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 522.55 | Num_heavy_atoms: | 37 |
| TPSA: | 165.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD58285
Formula: C20H24O6
Smiles:
COC(=O)C1=C2CCC3C(=O)OC(c4ccoc4)CC3(C)C2CCC1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 85.97 | NumAromaticRings: | 1 |
