Glycoside
GD130558
Name:
4-(7-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ylidene)oxolan-2-oneFormula:
C35H52O14Smiles:
CC12CCC(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)CC1=CCC1C2CCC2(C)C(=C3COC(=O)C3)CCC12OAglycone:
CC12CCC(O)CC1=CCC1C2CCC2(C)C(=C3COC(=O)C3)CCC12OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 696.79 | Num_heavy_atoms: | 49 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD52911
Formula: C23H32O4
Smiles:
CC12CCC(O)CC1=CCC1C2CCC2(C)C(=C3COC(=O)C3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
