Glycoside
GD130477
Name:
2-{[1-(5,6-dimethylhept-3-en-2-yl)-2,7-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-3-yl]oxy}oxane-3,4,5-triolFormula:
C33H54O7Smiles:
CC(C)C(C)C=CC(C)C1C(O)C(OC2OCC(O)C(O)C2O)C2C3CC=C4CC(O)CCC4(C)C3CCC12CAglycone:
CC(C)C(C)C=CC(C)C1C(O)C(O)C2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 562.79 | Num_heavy_atoms: | 40 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD52878
Formula: C28H46O3
Smiles:
CC(C)C(C)C=CC(C)C1C(O)C(O)C2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 5.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.67 | Num_heavy_atoms: | 31 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
