Glycoside
GD137120
Name:
4-({7-hydroxy-3,7-dimethyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oct-2-en-1-yl}oxy)-7H-furo[3,2-g]chromen-7-oneFormula:
C27H34O11Smiles:
CC(=CCOc1c2ccoc2cc2oc(=O)ccc12)CCC(OCC1OC(O)C(O)C(O)C1O)C(C)(C)OAglycone:
COC(CCC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 534.56 | Num_heavy_atoms: | 38 |
| TPSA: | 172.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD55413
Formula: C22H26O6
Smiles:
COC(CCC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 4.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 386.44 | Num_heavy_atoms: | 28 |
| TPSA: | 82.04 | NumAromaticRings: | 3 |
