Glycoside

GD114913
Name:
LycorisideFormula:
C38H57O10NSmiles:
CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2C(O)C=C3CCN4Cc5cc6c(cc5C2C34)OCO6)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCC(=O)OC.OC1C=C2CCN3Cc4cc5c(cc4C(C1O)C23)OCO5Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.76 |
AlogP: | 4.61 | Num_rotatable_bonds: | 18 |
MolWt: | 687.87 | Num_heavy_atoms: | 49 |
TPSA: | 147.38 | NumAromaticRings: | 1 |
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 |
AD45359
Formula: C16H17O4N
Smiles:
OC1C=C2CCN3Cc4cc5c(cc4C(C1O)C23)OCO5HBA: | 5 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.5 |
AlogP: | 0.75 | Num_rotatable_bonds: | 0 |
MolWt: | 287.32 | Num_heavy_atoms: | 21 |
TPSA: | 62.16 | NumAromaticRings: | 1 |