Glycoside
GD142608
Name:
[5-(3-hydroxypropyl)-7-methoxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzofuran-3-yl]methyl 3,4,5-trihydroxycyclohex-1-ene-1-carboxylateFormula:
C33H42O15Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2COC(=O)C2=CC(O)C(O)C(O)C2)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2COC(=O)C2=CC(O)C(O)C(O)C2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 12 |
| MolWt: | 678.68 | Num_heavy_atoms: | 48 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD57384
Formula: C27H32O10
Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2COC(=O)C2=CC(O)C(O)C(O)C2)ccc1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 516.54 | Num_heavy_atoms: | 37 |
| TPSA: | 155.14 | NumAromaticRings: | 2 |
