Glycoside

GD007427
Name:
NoneFormula:
C51H82O16N4Smiles:
CCNC(=O)O[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](C)O[C@H](O[C@H]3[C@H](CC=O)C[C@@H](C)[C@@H](O)CN(C)CCC[C@@H](CC=Cc4cccnc4)OC(=O)C[C@@H](OC(=O)CC)[C@H]3OC)[C@H](O)[C@H]2N(C)C)C[C@]1(C)OC(=O)CCAglycone:
CCC(=O)O.CCC(=O)OC1CC(=O)OC(CC=Cc2cccnc2)CCCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC.CCNC(=O)OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
HBA: | 20 | RingCount: | 4 |
HBD: | 3 | FractionCSP3: | 0.76 |
AlogP: | 4.21 | Num_rotatable_bonds: | 17 |
MolWt: | 1007.23 | Num_heavy_atoms: | 71 |
TPSA: | 240.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)OHBA: | 2 | RingCount: | 0 |
HBD: | 1 | FractionCSP3: | 0.67 |
AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
MolWt: | 74.08 | Num_heavy_atoms: | 5 |
TPSA: | 37.3 | NumAromaticRings: | 0 |
AD03140
Formula: C3H7O2N
Smiles:
CCNC(=O)OHBA: | 3 | RingCount: | 0 |
HBD: | 2 | FractionCSP3: | 0.67 |
AlogP: | 0.27 | Num_rotatable_bonds: | 1 |
MolWt: | 89.09 | Num_heavy_atoms: | 6 |
TPSA: | 49.33 | NumAromaticRings: | 0 |
AD06052
Formula: C30H46O8N2
Smiles:
CCC(=O)OC1CC(=O)OC(CC=Cc2cccnc2)CCCN(C)CC(O)C(C)CC(CC=O)C(O)C1OCHBA: | 10 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.67 |
AlogP: | 2.8 | Num_rotatable_bonds: | 8 |
MolWt: | 562.7 | Num_heavy_atoms: | 40 |
TPSA: | 135.49 | NumAromaticRings: | 1 |