Glycoside
GD136875
Name:
(1s,3r,5z,7z,11s,13z,15z,17z,19z,21s,23r,24s,25r)-21-((3s,4r,5r,6s)-4-amino-tetrahydro-3,5-dihydroxy-6-methyl-2h-pyran-2-yloxy)-1,3,25-trihydroxy-11,24-dimethyl-10,27-dioxa-bicyclo[21.3.1]heptacosa-5,7,13,15,17,19-hexaen-9-oneFormula:
C33H49O10NSmiles:
CC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC=CC=CC(=O)O1)CC(O)C2CAglycone:
CC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC=CC=CC(=O)O1)CC(O)C2CSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 619.75 | Num_heavy_atoms: | 44 |
| TPSA: | 181.16 | NumAromaticRings: | 0 |
Unique Aglycone
AD55320
Formula: C27H38O7
Smiles:
CC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC=CC=CC(=O)O1)CC(O)C2C| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 474.59 | Num_heavy_atoms: | 34 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
