Glycoside
GD138192
Name:
1-(2,3-dihydroxy-6-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-7,8-dihydroxy-9a,11a-dimethyl-1H,2H,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-5-oneFormula:
C33H52O11Smiles:
CC(C)(CCC(O)C(C)(O)C1CC=C2C3=C(CCC21C)C1(C)CC(O)C(O)CC1C(=O)C3)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)(O)CCC(O)C(C)(O)C1CC=C2C3=C(CCC21C)C1(C)CC(O)C(O)CC1C(=O)C3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 624.77 | Num_heavy_atoms: | 44 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD55801
Formula: C27H42O6
Smiles:
CC(C)(O)CCC(O)C(C)(O)C1CC=C2C3=C(CCC21C)C1(C)CC(O)C(O)CC1C(=O)C3| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.63 | Num_heavy_atoms: | 33 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
