Glycoside
GD154925
Name:
2-[(2-{[6-ethyl-7,11-dihydroxy-3a,6,9a-trimethyl-1-(6-methylhepta-2,5-dien-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C42H70O12Smiles:
CCC1(C)C(O)CCC2(C)C3CC(O)C4C(C(C)=CCC=C(C)C)CCC4(C)C3CC(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C12Aglycone:
CCC1(C)C(O)CCC2(C)C3CC(O)C4C(C(C)=CCC=C(C)C)CCC4(C)C3CC(O)C12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 767.01 | Num_heavy_atoms: | 54 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD61489
Formula: C30H50O3
Smiles:
CCC1(C)C(O)CCC2(C)C3CC(O)C4C(C(C)=CCC=C(C)C)CCC4(C)C3CC(O)C12| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
