Glycoside
GD005490
Name:
NoneFormula:
C20H30O10N3PSmiles:
CCCCNC(=O)CCCCC#Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
CCCCNC(=O)CCCCC#Cc1c[nH]c(=O)[nH]c1=O.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 11 |
| MolWt: | 503.45 | Num_heavy_atoms: | 34 |
| TPSA: | 200.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD04440
Formula: C15H21O3N3
Smiles:
CCCCNC(=O)CCCCC#Cc1c[nH]c(=O)[nH]c1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 291.35 | Num_heavy_atoms: | 21 |
| TPSA: | 94.82 | NumAromaticRings: | 1 |
