Glycoside
GD140084
Name:
1-(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-methylheptan-2-yl)-7-[(5-hydroxy-3,4-dimethoxyoxan-2-yl)oxy]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,6-tetrolFormula:
C39H68O14Smiles:
COC1C(O)COC(OC2CCC3(C)C(C(O)CC4(O)C3CCC3(C)C(C(C)CCC(OC5OC(CO)C(O)C5O)C(C)C)CC(O)C34)C2O)C1OCAglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12OSugarmoiety:
COC1C(O)COC(O)C1OC.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 12 |
| MolWt: | 760.96 | Num_heavy_atoms: | 53 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD04482
Formula: C27H48O6
Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.68 | Num_heavy_atoms: | 33 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
