Glycoside
GD124560
Name:
2-{[6-(9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-3-hydroxy-3-(propan-2-yl)heptan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H68O13Smiles:
CC(CCC(O)(C(C)C)C(C)OC1OC(CO)C(O)C(O)C1O)C1CC=C2C3=C(CCC21C)C1(C)CCC(OC2OC(CO)C(O)C(O)C2O)CC1CC3Aglycone:
CC(CCC(O)(C(C)C)C(C)O)C1CC=C2C3=C(CCC21C)C1(C)CCC(O)CC1CC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 12 |
| MolWt: | 768.98 | Num_heavy_atoms: | 54 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD50329
Formula: C29H48O3
Smiles:
CC(CCC(O)(C(C)C)C(C)O)C1CC=C2C3=C(CCC21C)C1(C)CCC(O)CC1CC3| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 6.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 444.7 | Num_heavy_atoms: | 32 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
