Glycoside
GD122276
Name:
(3,4,5-trihydroxy-6-{[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}oxan-2-yl)methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C35H42O15Smiles:
COc1cc(C2c3cc(O)c(OC)cc3CC(CO)C2COC2OC(COC(=O)c3cc(OC)c(O)c(OC)c3)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.COc1cc(C2c3cc(O)c(OC)cc3CC(CO)C2CO)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 12 |
| MolWt: | 702.71 | Num_heavy_atoms: | 50 |
| TPSA: | 223.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD05465
Formula: C20H24O6
Smiles:
COc1cc(C2c3cc(O)c(OC)cc3CC(CO)C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
