Glycoside
GD133753
Name:
5-hydroxy-2-phenyl-3,7-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C27H30O13Smiles:
CC1OC(Oc2cc(O)c3c(=O)c(OC4OC(C)C(O)C(O)C4O)c(-c4ccccc4)oc3c2)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 562.52 | Num_heavy_atoms: | 40 |
| TPSA: | 208.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD45672
Formula: C15H10O5
Smiles:
O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
