Glycoside
GD115289
Name:
2-{[4,5-dihydroxy-6-({2-hydroxy-9a,11a-dimethyl-1-[1-(5-methyl-3,4,5,6-tetrahydropyridin-2-yl)ethyl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C39H63O12NSmiles:
CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC32C)=NC1Aglycone:
CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)=NC1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 737.93 | Num_heavy_atoms: | 52 |
| TPSA: | 211.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD45575
Formula: C27H43O2N
Smiles:
CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)=NC1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 5.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 413.65 | Num_heavy_atoms: | 30 |
| TPSA: | 52.82 | NumAromaticRings: | 0 |
