Glycoside
GD124064
Name:
3-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-6-{[10-hydroxy-9a-methyl-11-oxo-1-(5-oxooxolan-3-yl)-1H,2H,3H,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl]oxy}-2-methyloxan-4-yl acetateFormula:
C41H60O17Smiles:
CC(=O)OC1CC(OC2CCC3(C)C(CCC4C5=C(C(=O)C(O)C43)C(C3COC(=O)C3)CC5)C2)OC(C)C1OC1OCC(OC2OC(C)C(O)C(O)C2O)C(O)C1OAglycone:
CC12CCC(O)CC1CCC1C3=C(C(=O)C(O)C12)C(C1COC(=O)C1)CC3Sugarmoiety:
CC(=O)OC1CC(O)OC(C)C1OC1OCC(OC2OC(C)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 824.91 | Num_heavy_atoms: | 58 |
| TPSA: | 246.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD50094
Formula: C22H30O5
Smiles:
CC12CCC(O)CC1CCC1C3=C(C(=O)C(O)C12)C(C1COC(=O)C1)CC3| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 374.48 | Num_heavy_atoms: | 27 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
