Glycoside

GD155001
Name:
4-(carbamoyloxy)-6-[({2-carboxy-2-[(3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl)oxy]ethoxy}(hydroxy)phosphoryl)oxy]-5-[(3-acetamido-5-{[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-({3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-2-yl}oxy)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-hydroxy-3-methyloxane-2-carboxylic acidFormula:
C63H97O31N4PSmiles:
C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)OC1OC(C(=O)O)C(C)(O)C(OC(=N)O)C1OC1OC(CO)C(OC2OC(CO)C(OC3OC(C(O)=NC4=C(O)CCC4=O)C(O)C(O)C3O)C(O)C2N=C(C)O)C(O)C1N=C(C)O)C(=O)OAglycone:
C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)O)C(=O)O.O=C1CCC(O)=C1N=COSugarmoiety:
CC(O)=NC1C(OC2C(CO)OC(OC3C(O)OC(C(=O)O)C(C)(O)C3OC(=N)O)C(N=C(C)O)C2O)OC(CO)C(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
HBA: | 35 | RingCount: | 5 |
HBD: | 17 | FractionCSP3: | 0.7 |
AlogP: | 2.65 | Num_rotatable_bonds: | 35 |
MolWt: | 1437.44 | Num_heavy_atoms: | 99 |
TPSA: | 554.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD10969
Formula: C28H47O7P
Smiles:
C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)O)C(=O)OHBA: | 7 | RingCount: | 0 |
HBD: | 3 | FractionCSP3: | 0.61 |
AlogP: | 7.29 | Num_rotatable_bonds: | 19 |
MolWt: | 526.65 | Num_heavy_atoms: | 36 |
TPSA: | 113.29 | NumAromaticRings: | 0 |
AD45895
Formula: C6H7O3N
Smiles:
O=C1CCC(O)=C1N=COHBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.33 |
AlogP: | 0.71 | Num_rotatable_bonds: | 1 |
MolWt: | 141.13 | Num_heavy_atoms: | 10 |
TPSA: | 69.89 | NumAromaticRings: | 0 |
Sugarmoiety

SD10306
CC(O)=NC1C(OC2C(CO)OC(OC3C(O)OC(C(=O)O)C(C)(O)C3OC(=N)O)C(N=C(C)O)C2O)OC(CO)C(OC2OC(O)C(O)C(O)C2O)C1O