Glycoside
GD140073
Name:
2-(hydroxymethyl)-6-{4-[6-(3-hydroxyprop-1-en-1-yl)-4-methoxy-1-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydro-1H-inden-2-yl]-2-methoxyphenoxy}oxane-3,4,5-triolFormula:
C33H44O15Smiles:
COc1cc(C2Cc3c(OC)cc(C=CCO)cc3C2COC2OC(CO)C(O)C(O)C2O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2Cc3c(OC)cc(C=CCO)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 12 |
| MolWt: | 680.7 | Num_heavy_atoms: | 48 |
| TPSA: | 237.45 | 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 |
