Glycoside
GD133473
Name:
5-(2,3a-dihydroxy-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:
C30H42O10Smiles:
CC12CCC(OC3OC(CO)C(O)C(O)C3O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)CC12OAglycone:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)CC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 562.66 | Num_heavy_atoms: | 40 |
| TPSA: | 170.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD49103
Formula: C24H32O5
Smiles:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)CC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 400.52 | Num_heavy_atoms: | 29 |
| TPSA: | 90.9 | NumAromaticRings: | 1 |
