Glycoside
GD135852
Name:
5-hydroxy-2-{3-hydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}-3,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-oneFormula:
C33H40O21Smiles:
CC1OC(Oc2ccc(-c3oc4cc(OC5OC(CO)C(O)C(O)C5O)cc(O)c4c(=O)c3OC3OC(CO)C(O)C(O)C3O)cc2O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.55 |
| AlogP: | -4.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 772.66 | Num_heavy_atoms: | 54 |
| TPSA: | 348.58 | 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 |
