Glycoside
GD135708
Name:
5-hydroxy-4-{7-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-9a,11a-dimethyl-4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C36H50O13Smiles:
COC1C(O)C(OC2CCC3(C)C4=C(CCC3C2)C2=CC=C(C3=CC(=O)OC3O)C2(C)CC4)OC(C)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC3=C(CCC4CC(O)CCC34C)C1=CC=C2C1=CC(=O)OC1OSugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 690.78 | Num_heavy_atoms: | 49 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD53075
Formula: C23H28O4
Smiles:
CC12CCC3=C(CCC4CC(O)CCC34C)C1=CC=C2C1=CC(=O)OC1O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 368.47 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
