Glycoside
GD001128
Name:
4-{7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-9a-({[2-(4-hydroxyphenyl)ethyl]imino}methyl)-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C37H51O9NSmiles:
CC1OC(O[C@@H]2CC[C@]3(C=NCCc4ccc(O)cc4)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)CC(O)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCCc3ccc(O)cc3)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 653.81 | Num_heavy_atoms: | 47 |
| TPSA: | 158.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD01179
Formula: C31H41O6N
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCCc3ccc(O)cc3)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 523.67 | Num_heavy_atoms: | 38 |
| TPSA: | 119.58 | NumAromaticRings: | 1 |
