Glycoside
GD119039
Name:
2-{[5-hydroxy-2-(1-{7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethoxy)-4-methoxy-6-methyloxan-3-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C40H66O16Smiles:
COC1C(O)C(C)OC(OC(C)C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC1C(O)C(C)OC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 10 |
| MolWt: | 802.95 | Num_heavy_atoms: | 56 |
| TPSA: | 246.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD45290
Formula: C21H34O2
Smiles:
CC(O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.5 | Num_heavy_atoms: | 23 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
