Glycoside
GD154069
Name:
7-{5a,5b,8,8,9,11a,13b-heptamethyl-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH,13aH,13bH-cyclopenta[a]chrysen-3-yl}-1-{[5-amino-2,3,4-trihydroxy-2-(hydroxymethyl)cyclopentyl]oxy}octane-2,3,4,5-tetrolFormula:
C42H73O9NSmiles:
CC(CC(O)C(O)C(O)C(O)COC1C(N)C(O)C(O)C1(O)CO)C1CCC2(C)C1CCC1(C)C2C=CC2C3(C)CCC(C)C(C)(C)C3CCC21CAglycone:
CC(C)C1CCC2(C)C1CCC1(C)C2C=CC2C3(C)CCC(C)C(C)(C)C3CCC21C.NC1CC(O)(CO)C(O)C1OSugarmoiety:
OOCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 10 |
| MolWt: | 736.04 | Num_heavy_atoms: | 52 |
| TPSA: | 197.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD09500
Formula: C6H13O4N
Smiles:
NC1CC(O)(CO)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 163.17 | Num_heavy_atoms: | 11 |
| TPSA: | 106.94 | NumAromaticRings: | 0 |
AD61232
Formula: C31H52
Smiles:
CC(C)C1CCC2(C)C1CCC1(C)C2C=CC2C3(C)CCC(C)C(C)(C)C3CCC21C| HBA: | 0 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 9.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 424.76 | Num_heavy_atoms: | 31 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
