Glycoside
GD146341
Name:
4-{7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-11a-methyl-9a-{[(2-phenylethyl)imino]methyl}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C37H51O8NSmiles:
CC1OC(OC2CCC3(C=NCCc4ccccc4)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCCc3ccccc3)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 637.81 | Num_heavy_atoms: | 46 |
| TPSA: | 138.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD58692
Formula: C31H41O5N
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCCc3ccccc3)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 507.67 | Num_heavy_atoms: | 37 |
| TPSA: | 99.35 | NumAromaticRings: | 1 |
