Glycoside
GD146326
Name:
methyl 3-({4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-hydroxy-6-methyloxan-2-yl}oxy)-6a,7,10a,12-tetrahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylateFormula:
C34H38O17Smiles:
COC(=O)c1c(OC2CC(OC3CC(O)C(O)C(C)O3)C(O)C(C)O2)cc2cc3c(c(O)c2c1C)C(=O)C1(O)C(=O)C=C(OC)C(O)C1(O)C3=OAglycone:
COC(=O)c1c(O)cc2cc3c(c(O)c2c1C)C(=O)C1(O)C(=O)C=C(OC)C(O)C1(O)C3=OSugarmoiety:
CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 718.66 | Num_heavy_atoms: | 51 |
| TPSA: | 265.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD49798
Formula: C22H18O11
Smiles:
COC(=O)c1c(O)cc2cc3c(c(O)c2c1C)C(=O)C1(O)C(=O)C=C(OC)C(O)C1(O)C3=O| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 458.38 | Num_heavy_atoms: | 33 |
| TPSA: | 187.89 | NumAromaticRings: | 2 |
