Glycoside
GD110595
Name:
4-{7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-11a-methyl-9a-{[(prop-2-en-1-yl)imino]methyl}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C32H47O8NSmiles:
C=CC/N=C/[C@]12CC[C@@H](O[C@H]3C[C@@H](O)[C@@H](O)[C@@H](C)O3)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12OAglycone:
C=CCN=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: | 0.81 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 573.73 | Num_heavy_atoms: | 41 |
| TPSA: | 138.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD44646
Formula: C26H37O5N
Smiles:
C=CCN=CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 443.58 | Num_heavy_atoms: | 32 |
| TPSA: | 99.35 | NumAromaticRings: | 0 |
