Glycoside
GD126554
Name:
NoneFormula:
C35H50O11N2Smiles:
COC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(C=C2COC2OCC(O)C(O)C2OC(C)=O)C(C(C)C)CCC1(C)OAglycone:
COC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(C=C2CO)C(C(C)C)CCC1(C)OSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 674.79 | Num_heavy_atoms: | 48 |
| TPSA: | 168.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD51221
Formula: C28H40O6N2
Smiles:
COC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(C=C2CO)C(C(C)C)CCC1(C)O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.64 | Num_heavy_atoms: | 36 |
| TPSA: | 103.04 | NumAromaticRings: | 1 |
