Glycoside
GD149355
Name:
4-{7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-9a-{[(3-hydroxypropyl)imino]methyl}-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C32H49O9NSmiles:
CC1OC(OC2CCC3(C=NCCCO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCCCO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 591.74 | Num_heavy_atoms: | 42 |
| TPSA: | 158.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD59732
Formula: C26H39O6N
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCCCO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 461.6 | Num_heavy_atoms: | 33 |
| TPSA: | 119.58 | NumAromaticRings: | 0 |
