Glycoside
GD126285
Name:
{6-[(5,7-dihydroxy-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-4,5-dihydroxy-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C35H36O12Smiles:
CC1CC(OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(OC(=O)C=Cc3ccc(O)cc3)C(O)C2O)Cc2cc(O)cc(O)c21Aglycone:
CC1CC(O)Cc2cc(O)cc(O)c21.COC(=O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 648.66 | Num_heavy_atoms: | 47 |
| TPSA: | 192.44 | NumAromaticRings: | 3 |
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 |
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD51090
Formula: C11H14O3
Smiles:
CC1CC(O)Cc2cc(O)cc(O)c21| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 194.23 | Num_heavy_atoms: | 14 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
