Glycoside
GD133195
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}-10-hydroxy-9a-methyl-11-oxo-1H,2H,3H,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-oneFormula:
C39H56O16Smiles:
CC1OC(OC2COC(OC3C(O)CC(OC4CCC5(C)C(CCC6C7=C(C(=O)C(O)C65)C(C5=CC(=O)OC5)CC7)C4)OC3C)C(O)C2O)C(O)C(O)C1OAglycone:
CC12CCC(O)CC1CCC1C3=C(C(=O)C(O)C12)C(C1=CC(=O)OC1)CC3Sugarmoiety:
CC1OC(OC2COC(OC3C(O)CC(O)OC3C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 780.86 | Num_heavy_atoms: | 55 |
| TPSA: | 240.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD53923
Formula: C22H28O5
Smiles:
CC12CCC(O)CC1CCC1C3=C(C(=O)C(O)C12)C(C1=CC(=O)OC1)CC3| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.46 | Num_heavy_atoms: | 27 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
