Glycoside
GD123274
Name:
3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-2-({4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-hydroxy-6-methyloxan-2-yl}oxy)-8,9-dihydroxy-6-[(5-hydroxy-6-methyloxan-2-yl)oxy]-7-methyl-1,2,3,4-tetrahydroanthracen-1-oneFormula:
C39H54O17Smiles:
COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CCC(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(O)C(O)C(C)O2)C(O)C(C)O1Aglycone:
Cc1c(OC2CCC(O)C(C)O2)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3Sugarmoiety:
CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.COC(O)C(=O)C(O)C(C)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.69 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 11 |
| MolWt: | 794.84 | Num_heavy_atoms: | 56 |
| TPSA: | 260.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD49702
Formula: C21H24O7
Smiles:
Cc1c(OC2CCC(O)C(C)O2)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 388.42 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
