Glycoside
GD125851
Name:
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C27H30O17Smiles:
COC1OC(Oc2cc(O)c3c(=O)c(OC4OC(OC)C(O)C(O)C4O)c(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
COC1OC(O)C(O)C(O)C1O.COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 626.52 | Num_heavy_atoms: | 44 |
| TPSA: | 267.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD00377
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
