Glycoside
GD000166
Name:
NoneFormula:
C45H61O8N5Smiles:
C=C1CC2=C3N=C(C=c4[nH]c(c(C(C)OCCCCCC)c4C)=CC4=NC(Cc5[nH]c2c1c5C)C(CC)=C4C)[C@H](C)[C@H]3CCC(=O)NO[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=C1CC2=C3N=C(C=c4[nH]c(c(C(C)OCCCCCC)c4C)=CC4=NC(Cc5[nH]c2c1c5C)C(CC)=C4C)C(C)C3CCC(=O)NOSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 13 |
| MolWt: | 800.01 | Num_heavy_atoms: | 58 |
| TPSA: | 194.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD00202
Formula: C40H53O3N5
Smiles:
C=C1CC2=C3N=C(C=c4[nH]c(c(C(C)OCCCCCC)c4C)=CC4=NC(Cc5[nH]c2c1c5C)C(CC)=C4C)C(C)C3CCC(=O)NO| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 7.11 | Num_rotatable_bonds: | 11 |
| MolWt: | 651.9 | Num_heavy_atoms: | 48 |
| TPSA: | 114.86 | NumAromaticRings: | 2 |
