Glycoside
GD154800
Name:
1-[7-({3-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-5-(1,2-dihydroxyethyl)-4-hydroxyoxolan-2-yl}oxy)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,6,7-pentolFormula:
C40H68O15Smiles:
COC1C(OC2C(OCC(C)C(C)C=CC(C)C3CC(O)C4C3(C)CCC3C5(C)CCC(O)C(O)C5C(O)CC34O)OC(C(O)CO)C2O)OCC(O)C1OAglycone:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)COSugarmoiety:
COC1C(OC2C(O)OC(C(O)CO)C2O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 12 |
| MolWt: | 788.97 | Num_heavy_atoms: | 55 |
| TPSA: | 248.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD04735
Formula: C28H48O6
Smiles:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)CO| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.69 | Num_heavy_atoms: | 34 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
