Glycoside
GD149486
Name:
6-(2-{2,7-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-1,2-dihydroxypropyl)-2,4-dimethyl-2-(piperidin-3-yloxy)oxane-3,4,5-triolFormula:
C34H57O9NSmiles:
CC1(OC2CCCNC2)OC(C(O)C(C)(O)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)C(O)C(C)(O)C1OAglycone:
CC(O)(CO)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.OC1CCCNC1Sugarmoiety:
CC1(O)OC(O)C(O)C(C)(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 623.83 | Num_heavy_atoms: | 44 |
| TPSA: | 172.1 | NumAromaticRings: | 0 |
Unique Aglycone
AD59768
Formula: C22H36O4
Smiles:
CC(O)(CO)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 364.53 | Num_heavy_atoms: | 26 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
AD59769
Formula: C5H11ON
Smiles:
OC1CCCNC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 32.26 | NumAromaticRings: | 0 |
