Glycoside
GD149173
Name:
2-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl)-5,6-dihydroxy-5-(propan-2-yl)heptanoic acidFormula:
C40H64O14Smiles:
CC(C)C(O)(CCC(C(=O)O)C1CCC2C3=CCC4CC(OC5OC(CO)C(O)C(O)C5OC5OCC(O)C(O)C5O)CCC4(C)C3=CCC21C)C(C)OAglycone:
CC(C)C(O)(CCC(C(=O)O)C1CCC2C3=CCC4CC(O)CCC4(C)C3=CCC21C)C(C)OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 12 |
| MolWt: | 768.94 | Num_heavy_atoms: | 54 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD45774
Formula: C29H46O5
Smiles:
CC(C)C(O)(CCC(C(=O)O)C1CCC2C3=CCC4CC(O)CCC4(C)C3=CCC21C)C(C)O| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.68 | Num_heavy_atoms: | 34 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
