Glycoside
GD157651
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 6-{[1-(5-ethyl-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateFormula:
C41H66O12Smiles:
CCC(C=CC(C)C1CCC2C3CC=C4CC(OC5OC(C(=O)OC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)CAglycone:
CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)CSugarmoiety:
O=C(OC1OC(CO)C(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 750.97 | Num_heavy_atoms: | 53 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD15110
Formula: C29H48O
Smiles:
CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 7.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.7 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
