Glycoside
GD156261
Name:
1-(7-{[4-hydroxy-5-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxolan-2-yl]oxy}-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,6,7-pentolFormula:
C37H62O14Smiles:
CC(CC=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)COC1OC(CO)C(O)C1OC1OCC(O)C(O)C1OAglycone:
CC(CO)CC=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 10 |
| MolWt: | 730.89 | Num_heavy_atoms: | 51 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD50789
Formula: C27H46O6
Smiles:
CC(CO)CC=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.66 | Num_heavy_atoms: | 33 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
