Glycoside
GD137111
Name:
2-(3,4-dihydroxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromene-4,5,7-triolFormula:
C21H22O12Smiles:
OCC1OC(OC2=C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C2O)C(O)C(O)C1OAglycone:
OC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.4 | Num_heavy_atoms: | 33 |
| TPSA: | 209.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD45397
Formula: C15H12O7
Smiles:
OC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 2 |
