Glycoside

GD032875
Name:
NoneFormula:
C42H80O12N2Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)N(C)C[C@H](C)[C@H](OC)[C@]1(C)OCAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)N(C)CC(C)C(OC)C1(C)OCSugarmoiety:
COC1C(C)OC(O)CC1(C)OCOther Identifiers
Properties
HBA: | 14 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.98 |
AlogP: | 4.52 | Num_rotatable_bonds: | 11 |
MolWt: | 805.1 | Num_heavy_atoms: | 56 |
TPSA: | 136.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD21029
Formula: C33H64O9N2
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)N(C)CC(C)C(OC)C1(C)OCHBA: | 11 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.97 |
AlogP: | 2.94 | Num_rotatable_bonds: | 7 |
MolWt: | 632.88 | Num_heavy_atoms: | 44 |
TPSA: | 119.39 | NumAromaticRings: | 0 |