Glycoside
GD130363
Name:
2-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-(7-hydroxy-6-methyl-3-oxoheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-oneFormula:
C39H62O14Smiles:
CC(CO)CCC(=O)C(C)C1C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21CAglycone:
CC(CO)CCC(=O)C(C)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21CSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 12 |
| MolWt: | 754.91 | Num_heavy_atoms: | 53 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD52827
Formula: C27H42O4
Smiles:
CC(CO)CCC(=O)C(C)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
