Glycoside
GD120008
Name:
2-[(4,5-dihydroxy-2-{[2-hydroxy-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C39H64O16Smiles:
CC(O)C1C(O)CC2C3CC=C4CC(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 788.92 | Num_heavy_atoms: | 55 |
| TPSA: | 257.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD46948
Formula: C21H34O3
Smiles:
CC(O)C1C(O)CC2C3CC=C4CC(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 |
