Glycoside
GD125576
Name:
1-(7-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,6,7-pentolFormula:
C33H56O11Smiles:
CC(CC=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)COC1OC(C(O)CO)C(O)C1OAglycone:
CC(CO)CC=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12OSugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.94 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 628.8 | Num_heavy_atoms: | 44 |
| TPSA: | 200.53 | 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 |
