Glycoside
GD130632
Name:
1-(2,3-dihydroxy-5,6-dimethylheptan-2-yl)-3a,8-dihydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-oneFormula:
C34H56O11Smiles:
CC(C)C(C)CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5O)C(O)CC4(C)C3CCC12CAglycone:
CC(C)C(C)CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 640.81 | Num_heavy_atoms: | 45 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD52935
Formula: C28H46O6
Smiles:
CC(C)C(C)CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 478.67 | Num_heavy_atoms: | 34 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
