Glycoside
GD116196
Name:
5-(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3a,3b-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-2H-pyran-2-oneFormula:
C36H52O15Smiles:
CC12CCC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C=C1CCC1(O)C2CCC2(C)C(c3ccc(=O)oc3)CCC21OAglycone:
CC12CCC(O)C=C1CCC1(O)C2CCC2(C)C(c3ccc(=O)oc3)CCC21OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.81 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 724.8 | Num_heavy_atoms: | 51 |
| TPSA: | 249.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD46101
Formula: C24H32O5
Smiles:
CC12CCC(O)C=C1CCC1(O)C2CCC2(C)C(c3ccc(=O)oc3)CCC21O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 400.52 | Num_heavy_atoms: | 29 |
| TPSA: | 90.9 | NumAromaticRings: | 1 |
