Glycoside
GD135485
Name:
3-({4,5-dihydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-4H-chromen-4-oneFormula:
C33H40O21Smiles:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1Oc1c(-c2ccc(O)cc2)oc2cc(O)c(OCC3OC(O)C(O)C(O)C3O)c(O)c2c1=OAglycone:
COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.55 |
| AlogP: | -4.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 772.66 | Num_heavy_atoms: | 54 |
| TPSA: | 348.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD04392
Formula: C16H12O7
Smiles:
COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
