Glycoside
GD125795
Name:
NoneFormula:
C32H33O13N4Smiles:
COc1c(OC2OC(C(=O)O)C(O)(CC3=NC=NC3)C(O)C2O)cc2c(c1O)C(O)=CC(c1ccc(OCC(O)C3=NC(N)=C[CH+]3)cc1)O2Aglycone:
CC1=NC=NC1.COc1c(O)cc2c(c1O)C(O)=CC(c1ccc(OCC(O)C3=NC(N)=C[CH+]3)cc1)O2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.34 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 681.63 | Num_heavy_atoms: | 49 |
| TPSA: | 267.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD44952
Formula: C4H6N2
Smiles:
CC1=NC=NC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 0 |
| MolWt: | 82.11 | Num_heavy_atoms: | 6 |
| TPSA: | 24.72 | NumAromaticRings: | 0 |
AD50882
Formula: C22H21O7N2
Smiles:
COc1c(O)cc2c(c1O)C(O)=CC(c1ccc(OCC(O)C3=NC(N)=C[CH+]3)cc1)O2| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.18 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 425.42 | Num_heavy_atoms: | 31 |
| TPSA: | 146.99 | NumAromaticRings: | 2 |
