Glycoside
GD146696
Name:
4-(7-{[5-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-3a,3b-dihydroxy-9a,11a-dimethyl-3-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-oneFormula:
C40H60O17Smiles:
CC1OC(OC2COC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C5CCC5(C)C(C7=CC(=O)OC7)CC(=O)C56O)C4)OC3C)C(O)C2O)C(O)C(O)C1OAglycone:
CC12CCC(O)CC1CCC1(O)C2CCC2(C)C(C3=CC(=O)OC3)CC(=O)C21OSugarmoiety:
CC1OC(OC2COC(OC3C(O)CC(O)OC3C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 812.9 | Num_heavy_atoms: | 57 |
| TPSA: | 260.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD54211
Formula: C23H32O6
Smiles:
CC12CCC(O)CC1CCC1(O)C2CCC2(C)C(C3=CC(=O)OC3)CC(=O)C21O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
