Glycoside
GD150302
Name:
2-[(4,5-dihydroxy-2-{[11-hydroxy-3a,4,6,6,9a-pentamethyl-1-(6-methylhepta-2,5-dien-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H70O12Smiles:
CC(C)=CCC=C(C)C1CCC2(C)C1C(O)CC1C2C(C)CC2C(C)(C)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CCC12CAglycone:
CC(C)=CCC=C(C)C1CCC2(C)C1C(O)CC1C2C(C)CC2C(C)(C)C(O)CCC12CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 767.01 | Num_heavy_atoms: | 54 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD60051
Formula: C30H50O2
Smiles:
CC(C)=CCC=C(C)C1CCC2(C)C1C(O)CC1C2C(C)CC2C(C)(C)C(O)CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 7.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 442.73 | Num_heavy_atoms: | 32 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
