Glycoside
GD119999
Name:
2-{[6-(1-{7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethoxy)-4-methoxy-2-methyloxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H68O15Smiles:
COC1CC(OC(C)C2(O)CCC3C4C=CC5CC(OC6OC(C)C(O)C(OC)C6O)CCC5(C)C4CCC32C)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21CSugarmoiety:
COC1C(O)C(C)OC(O)C1O.COC1CC(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 10 |
| MolWt: | 800.98 | Num_heavy_atoms: | 56 |
| TPSA: | 215.45 | 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 |
