Glycoside
GD131859
Name:
2-{[4,5-dihydroxy-6-({3-hydroxy-9a,11a-dimethyl-1-[1-(1-methylazepan-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:
C40H67O12NSmiles:
CC(C1CCCCCN1C)C1CC(O)C2C3CC=C4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C1CCCCCN1C)C1CC(O)C2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 753.97 | Num_heavy_atoms: | 53 |
| TPSA: | 202.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD53402
Formula: C28H47O2N
Smiles:
CC(C1CCCCCN1C)C1CC(O)C2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 429.69 | Num_heavy_atoms: | 31 |
| TPSA: | 43.7 | NumAromaticRings: | 0 |
