Glycoside

GD034779
Name:
NoneFormula:
C49H85O15N3Smiles:
CCCCNC(=O)C(C[C@@H]1C[C@H](C)C(=O)C=CC(C)=C[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](OC)[C@H]2OC)[C@H](CC)OC(=O)C[C@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]1O)N(C)C(=O)CCCAglycone:
CCCCNC(=O)C(CC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C1O)N(C)C(=O)CCCSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
HBA: | 18 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.84 |
AlogP: | 2.91 | Num_rotatable_bonds: | 18 |
MolWt: | 956.22 | Num_heavy_atoms: | 67 |
TPSA: | 232.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD22072
Formula: C33H56O8N2
Smiles:
CCCCNC(=O)C(CC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C1O)N(C)C(=O)CCCHBA: | 10 | RingCount: | 1 |
HBD: | 4 | FractionCSP3: | 0.76 |
AlogP: | 3.33 | Num_rotatable_bonds: | 11 |
MolWt: | 608.82 | Num_heavy_atoms: | 43 |
TPSA: | 153.47 | NumAromaticRings: | 0 |