Glycoside
GD122768
Name:
2-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6,9a,11a-trimethyl-1H,2H,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-6-methylheptan-4-oneFormula:
C40H64O12Smiles:
CC(C)CC(=O)CC(C)C1CC=C2C3=C(CCC21C)C1(C)CCC(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(C)C1CC3Aglycone:
CC(C)CC(=O)CC(C)C1CC=C2C3=C(CCC21C)C1(C)CCC(O)C(C)C1CC3Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 11 |
| MolWt: | 736.94 | Num_heavy_atoms: | 52 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD49507
Formula: C28H44O2
Smiles:
CC(C)CC(=O)CC(C)C1CC=C2C3=C(CCC21C)C1(C)CCC(O)C(C)C1CC3| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | 6.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.66 | Num_heavy_atoms: | 30 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
