Glycoside
GD143820
Name:
3-[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)peroxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-oneFormula:
C27H30O17Smiles:
CC1OC(OOc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
O=c1c(OO)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.44 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 626.52 | Num_heavy_atoms: | 44 |
| TPSA: | 278.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD51569
Formula: C15H10O8
Smiles:
O=c1c(OO)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.24 | Num_heavy_atoms: | 23 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
