Glycoside
GD129326
Name:
7-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-1-{5-[(5-{[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl)oxy]-6-methylhept-3-en-2-yl}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,4,5,6-pentolFormula:
C44H74O19Smiles:
COC1C(OCC2OC(OC(C=CC(C)C3CC(O)C4C3(C)CCC3C5(C)CCC(OC6OCC(O)C(O)C6OC)C(O)C5C(O)C(O)C34O)C(C)C)C(O)C2O)OCC(O)C1OAglycone:
CC(C)C(O)C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)C(O)C12OSugarmoiety:
COC1C(O)OCC(O)C1O.COC1C(OCC2OC(O)C(O)C2O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.95 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 13 |
| MolWt: | 907.06 | Num_heavy_atoms: | 63 |
| TPSA: | 296.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD52394
Formula: C27H46O7
Smiles:
CC(C)C(O)C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)C(O)C12O| HBA: | 7 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 482.66 | Num_heavy_atoms: | 34 |
| TPSA: | 141.61 | NumAromaticRings: | 0 |
