Glycoside
GD118498
Name:
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-7-oxo-7H-chromen-3-yl]oxy}oxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H26O12Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc3c(O)cc(=O)cc-3oc2-c2ccc(O)cc2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=c1cc2oc(-c3ccc(O)cc3)c(O)cc-2c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.2 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 7 |
| MolWt: | 578.53 | Num_heavy_atoms: | 42 |
| TPSA: | 196.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD47390
Formula: C15H10O5
Smiles:
O=c1cc2oc(-c3ccc(O)cc3)c(O)cc-2c(O)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 1 |
