Glycoside
GD144706
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-3a,3b,6,6,9a-pentamethyl-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-8-oneFormula:
C34H54O13Smiles:
CC1(C)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(=O)CC2(C)C1CC(O)C1(C)C2CCC2C=CCC21CAglycone:
CC1(C)C(O)C(=O)CC2(C)C1CC(O)C1(C)C2CCC2C=CCC21CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 670.79 | Num_heavy_atoms: | 47 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD58129
Formula: C22H34O3
Smiles:
CC1(C)C(O)C(=O)CC2(C)C1CC(O)C1(C)C2CCC2C=CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 346.51 | Num_heavy_atoms: | 25 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
