Glycoside

GD005715
Name:
NoneFormula:
C47H76O13N2Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CCNCCc2ccccc2)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCNCCc2ccccc2)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
HBA: | 15 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.74 |
AlogP: | 3.2 | Num_rotatable_bonds: | 15 |
MolWt: | 877.13 | Num_heavy_atoms: | 62 |
TPSA: | 194.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD04815
Formula: C31H47O6N
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCNCCc2ccccc2)CC(C)C(=O)C=CC(C)=CC1COHBA: | 7 | RingCount: | 2 |
HBD: | 4 | FractionCSP3: | 0.61 |
AlogP: | 3.61 | Num_rotatable_bonds: | 8 |
MolWt: | 529.72 | Num_heavy_atoms: | 38 |
TPSA: | 116.09 | NumAromaticRings: | 1 |