Glycoside
GD144607
Name:
2-({1-hydroxy-1-[1-({5-hydroxy-4-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)ethyl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C40H66O13Smiles:
COC1CC(OC2CC(OC(C)C3(O)CCC4C5C=CC6CC(OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC43C)OC(C)C2O)OC(C)C1OAglycone:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.COC1CC(OC2CC(O)OC(C)C2O)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 754.96 | Num_heavy_atoms: | 53 |
| TPSA: | 185.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD46010
Formula: C21H34O3
Smiles:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
