Glycoside
GD158041
Name:
2-(hydroxymethyl)-6-{4-[1-(hydroxymethyl)-6-(3-hydroxyprop-1-en-1-yl)-4-methoxy-2,3-dihydro-1H-inden-2-yl]-2-methoxyphenoxy}oxane-3,4,5-triolFormula:
C27H34O10Smiles:
COc1cc(C2Cc3c(OC)cc(C=CCO)cc3C2CO)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2Cc3c(OC)cc(C=CCO)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 518.56 | Num_heavy_atoms: | 37 |
| TPSA: | 158.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD56477
Formula: C21H24O5
Smiles:
COc1cc(C2Cc3c(OC)cc(C=CCO)cc3C2CO)ccc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 356.42 | Num_heavy_atoms: | 26 |
| TPSA: | 79.15 | NumAromaticRings: | 2 |
