Glycoside
GD127704
Name:
3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-5-(4,5-dihydroxy-6-methyloxan-2-yl)-2,6,8,9-tetrahydroxy-7-methyl-1,2,3,4-tetrahydroanthracen-1-oneFormula:
C27H34O12Smiles:
COC(C(=O)C(O)C(C)O)C1Cc2cc3c(C4CC(O)C(O)C(C)O4)c(O)c(C)c(O)c3c(O)c2C(=O)C1OAglycone:
Cc1c(O)c(C2CC(O)C(O)C(C)O2)c2cc3c(c(O)c2c1O)C(=O)C(O)CC3Sugarmoiety:
COC(O)C(=O)C(O)C(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 550.56 | Num_heavy_atoms: | 39 |
| TPSA: | 214.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD51722
Formula: C21H24O8
Smiles:
Cc1c(O)c(C2CC(O)C(O)C(C)O2)c2cc3c(c(O)c2c1O)C(=O)C(O)CC3| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 404.42 | Num_heavy_atoms: | 29 |
| TPSA: | 147.68 | NumAromaticRings: | 2 |
