Glycoside
GD116272
Name:
4-{7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-9a-[(dodecylimino)methyl]-3a,5a-dihydroxy-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C41H67O8NSmiles:
CCCCCCCCCCCCN=CC12CCC(OC3CC(O)C(O)C(C)O3)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OAglycone:
CCCCCCCCCCCCN=CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 6.57 | Num_rotatable_bonds: | 15 |
| MolWt: | 701.99 | Num_heavy_atoms: | 50 |
| TPSA: | 138.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD46139
Formula: C35H57O5N
Smiles:
CCCCCCCCCCCCN=CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 6.69 | Num_rotatable_bonds: | 13 |
| MolWt: | 571.84 | Num_heavy_atoms: | 41 |
| TPSA: | 99.35 | NumAromaticRings: | 0 |
