Glycoside
GD116978
Name:
4-{7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-11a-methyl-9a-({[2-(piperidin-1-yl)ethyl]imino}methyl)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C36H56O8N2Smiles:
CC1OC(OC2CCC3(C=NCCN4CCCCC4)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCCN3CCCCC3)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 644.85 | Num_heavy_atoms: | 46 |
| TPSA: | 141.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD46563
Formula: C30H46O5N2
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCCN3CCCCC3)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 514.71 | Num_heavy_atoms: | 37 |
| TPSA: | 102.59 | NumAromaticRings: | 0 |
