Glycoside

GD029639
Name:
NoneFormula:
C50H81O10N5Smiles:
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](CCN2CC(C)CC(C)C2)C[C@H](C)C(=NOCC(=O)N2CCN(c3ccccc3)CC2)C=CC(C)=CC1COAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCC(=O)N2CCN(c3ccccc3)CC2)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.74 |
AlogP: | 4.33 | Num_rotatable_bonds: | 12 |
MolWt: | 912.22 | Num_heavy_atoms: | 65 |
TPSA: | 177.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD19263
Formula: C42H66O7N4
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCC(=O)N2CCN(c3ccccc3)CC2)C=CC(C)=CC1COHBA: | 11 | RingCount: | 4 |
HBD: | 3 | FractionCSP3: | 0.69 |
AlogP: | 4.91 | Num_rotatable_bonds: | 9 |
MolWt: | 739.01 | Num_heavy_atoms: | 53 |
TPSA: | 135.37 | NumAromaticRings: | 1 |