Glycoside
GD124096
Name:
2-[(5,6-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{4,7,9-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}hept-5-en-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H66O15Smiles:
CC(COC1OC(CO)C(O)C(O)C1O)=C(C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C1CCC2C3C(O)C=C4CC(O)CC(O)C4(C)C3CCC12CAglycone:
CC(CO)=C(C)CC(O)C(C)C1CCC2C3C(O)C=C4CC(O)CC(O)C4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.9 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 11 |
| MolWt: | 786.95 | Num_heavy_atoms: | 55 |
| TPSA: | 259.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD50105
Formula: C28H46O5
Smiles:
CC(CO)=C(C)CC(O)C(C)C1CCC2C3C(O)C=C4CC(O)CC(O)C4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.67 | Num_heavy_atoms: | 33 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
