Glycoside

GD155833
Name:
Bbgl-IFormula:
C49H86O7Smiles:
CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)C(O)C(O)C1OAglycone:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C.CCCCCCCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 7 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.94 |
AlogP: | 11.25 | Num_rotatable_bonds: | 23 |
MolWt: | 787.22 | Num_heavy_atoms: | 56 |
TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD03475
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCC(=O)OCHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.94 |
AlogP: | 5.64 | Num_rotatable_bonds: | 14 |
MolWt: | 270.46 | Num_heavy_atoms: | 19 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD13204
Formula: C27H46O
Smiles:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12CHBA: | 1 | RingCount: | 4 |
HBD: | 1 | FractionCSP3: | 0.93 |
AlogP: | 7.39 | Num_rotatable_bonds: | 5 |
MolWt: | 386.66 | Num_heavy_atoms: | 28 |
TPSA: | 20.23 | NumAromaticRings: | 0 |