Glycoside

GD004225
Name:
NoneFormula:
C41H76O12N2Smiles:
CCCN1CO[C@@H]2[C@H](C)[C@H]1[C@H](C)C[C@@](C)(O)[C@H](OC1OC(C)CC(N(C)C)C1O)[C@H](C)[C@H](OC1CC(C)(OC)C(O)C(C)O1)[C@H](C)C(=O)O[C@H](CC)[C@]2(C)OAglycone:
CCCN1COC2C(C)C1C(C)CC(C)(O)C(OC1OC(C)CC(N(C)C)C1O)C(C)C(O)C(C)C(=O)OC(CC)C2(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 4 |
HBD: | 4 | FractionCSP3: | 0.98 |
AlogP: | 3.29 | Num_rotatable_bonds: | 9 |
MolWt: | 789.06 | Num_heavy_atoms: | 55 |
TPSA: | 169.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD03718
Formula: C33H62O9N2
Smiles:
CCCN1COC2C(C)C1C(C)CC(C)(O)C(OC1OC(C)CC(N(C)C)C1O)C(C)C(O)C(C)C(=O)OC(CC)C2(C)OHBA: | 11 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.97 |
AlogP: | 2.37 | Num_rotatable_bonds: | 6 |
MolWt: | 630.86 | Num_heavy_atoms: | 44 |
TPSA: | 141.39 | NumAromaticRings: | 0 |