Glycoside
GD008880
Name:
NoneFormula:
C39H60O11N2Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CC=O)C[C@H](C)C(=NOCCOc2ccccc2)C=CC(C)=CC1COAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=NOCCOc2ccccc2)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 12 |
| MolWt: | 732.91 | Num_heavy_atoms: | 52 |
| TPSA: | 176.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD07036
Formula: C31H45O8N
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=NOCCOc2ccccc2)C=CC(C)=CC1CO| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 559.7 | Num_heavy_atoms: | 40 |
| TPSA: | 134.88 | NumAromaticRings: | 1 |
