Glycoside
GD137329
Name:
N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-({6-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbamoyl]-2-({11-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-4,5-dihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxamideFormula:
C54H71O19N9Smiles:
CC1(C(O)=Nc2cnc(O)nc2O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(O)=Nc7cnc(O)nc7O)C(O)C(O)C6OC6OC(C(O)=Nc7cnc(O)nc7O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C(O)=Nc2cnc(O)nc2O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.OC=Nc1cnc(O)nc1O.OC=Nc1cnc(O)nc1OSugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 10 |
| HBD: | 14 | FractionCSP3: | 0.67 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 10 |
| MolWt: | 1150.21 | Num_heavy_atoms: | 82 |
| TPSA: | 451.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD55488
Formula: C34H49O5N3
Smiles:
CC1(C(O)=Nc2cnc(O)nc2O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 6.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 579.78 | Num_heavy_atoms: | 42 |
| TPSA: | 136.13 | NumAromaticRings: | 1 |
AD55489
Formula: C5H5O3N3
Smiles:
OC=Nc1cnc(O)nc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.11 | Num_heavy_atoms: | 11 |
| TPSA: | 98.83 | NumAromaticRings: | 1 |
