Glycoside
GD132696
Name:
2-{[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C21H22O11Smiles:
CC1OC(OC2=C(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C2)C(O)C(O)C1OAglycone:
OC1=C(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c2C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 189.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD13979
Formula: C15H12O7
Smiles:
OC1=C(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c2C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 2 |
