Glycoside
GD034999
Name:
NoneFormula:
C37H53O13N3Smiles:
C=CCNC1=C2C[C@H](C)C[C@H](OC)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](C)C=C(C)[C@H](OC(N)=O)[C@H](OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=OAglycone:
C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 747.84 | Num_heavy_atoms: | 53 |
| TPSA: | 245.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD22182
Formula: C31H43O8N3
Smiles:
C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 585.7 | Num_heavy_atoms: | 42 |
| TPSA: | 166.28 | NumAromaticRings: | 0 |
