Glycoside
GD150236
Name:
5-(3a,3b,5,11-tetrahydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2H-pyran-2-oneFormula:
C30H42O12Smiles:
CC12CCC(OC3OC(CO)C(O)C(O)C3O)C=C1C(O)CC1(O)C2CC(O)C2(C)C(c3ccc(=O)oc3)CCC12OAglycone:
CC12CCC(O)C=C1C(O)CC1(O)C2CC(O)C2(C)C(c3ccc(=O)oc3)CCC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.77 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 594.65 | Num_heavy_atoms: | 42 |
| TPSA: | 210.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD60026
Formula: C24H32O7
Smiles:
CC12CCC(O)C=C1C(O)CC1(O)C2CC(O)C2(C)C(c3ccc(=O)oc3)CCC12O| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 432.51 | Num_heavy_atoms: | 31 |
| TPSA: | 131.36 | NumAromaticRings: | 1 |
