Glycoside
GD117005
Name:
7-{[4-hydroxy-5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,3a,3b,11-tetrolFormula:
C40H66O15Smiles:
COC1CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(=CCC6(O)C5CC(O)C5(C)C(O)(C(C)O)CCC65O)C4)OC3C)OC2C)OC(C)C1OAglycone:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
COC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 786.95 | Num_heavy_atoms: | 55 |
| TPSA: | 226.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD46580
Formula: C21H34O6
Smiles:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 382.5 | Num_heavy_atoms: | 27 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
