Glycoside
GD020529
Name:
NoneFormula:
C72H125O21N5S3Smiles:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCCCCCNC(=O)C(CCCCNC(=O)CCSC5OC(CO)C(O)C(O)C5O)NC(=O)[C@H](CCCCNC(=O)CCSC5OC(CO)C(O)C(O)C5O)NC(=O)CCSC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCCCCCNC(=O)C(CCCCNC(=O)CCS)NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 7 |
| HBD: | 17 | FractionCSP3: | 0.9 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 42 |
| MolWt: | 1493.01 | Num_heavy_atoms: | 101 |
| TPSA: | 425.18 | NumAromaticRings: | 0 |
Unique Aglycone
AD14168
Formula: C54H95O6N5S3
Smiles:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCCCCCNC(=O)C(CCCCNC(=O)CCS)NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS)CCC4(C)C3CCC12C| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 9.59 | Num_rotatable_bonds: | 33 |
| MolWt: | 1006.58 | Num_heavy_atoms: | 68 |
| TPSA: | 154.73 | NumAromaticRings: | 0 |
