Glycoside
GD135949
Name:
2-{[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-methyloxane-3,4,5-triolFormula:
C27H36O11Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2COC2OC(C)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2CO)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 536.57 | Num_heavy_atoms: | 38 |
| TPSA: | 167.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD49730
Formula: C21H26O7
Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
