Glycoside
GD154203
Name:
1-[5-({[3,4-dihydroxy-5-(2-hydroxy-1-methoxyethyl)oxolan-2-yl]oxy}methyl)-5-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,4,5,7-pentolFormula:
C35H62O12Smiles:
COC(CO)C1OC(OCC(O)(CCC(C)C2CC(O)C3C2(C)CCC2C4(C)CCC(O)CC4C(O)C(O)C23O)C(C)C)C(O)C1OAglycone:
CC(CCC(O)(CO)C(C)C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)C(O)C12O.COCCOSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 674.87 | Num_heavy_atoms: | 47 |
| TPSA: | 209.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD61282
Formula: C28H50O7
Smiles:
CC(CCC(O)(CO)C(C)C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)C(O)C12O| HBA: | 7 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.7 | Num_heavy_atoms: | 35 |
| TPSA: | 141.61 | NumAromaticRings: | 0 |
