Glycoside
GD138411
Name:
N-[3-(4-{7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-N-[3-(2,3,4,5,6-pentahydroxyhexanamido)propyl]pentanamido)propyl]-2,3,4,5,6-pentahydroxyhexanamideFormula:
C42H75O15N3Smiles:
CC(CCC(=O)N(CCCN=C(O)C(O)C(O)C(O)C(O)CO)CCCN=C(O)C(O)C(O)C(O)C(O)CO)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12CAglycone:
CC(CCC(=O)N(CCCN)CCCN)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)CO.O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.93 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 22 |
| MolWt: | 862.07 | Num_heavy_atoms: | 60 |
| TPSA: | 328.25 | NumAromaticRings: | 0 |
Unique Aglycone
AD24135
Formula: C30H55O3N3
Smiles:
CC(CCC(=O)N(CCCN)CCCN)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 10 |
| MolWt: | 505.79 | Num_heavy_atoms: | 36 |
| TPSA: | 112.81 | NumAromaticRings: | 0 |
