Glycoside
...
GD020872

Name:
None

Formula:
C48H77O16N

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](OC2C[C@@](C)(OC)[C@H](OC(=O)CC(=O)OCc3ccccc3)[C@H](C)O2)[C@H](C)[C@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O.O=C(O)CC(=O)OCc1ccccc1

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 3 FractionCSP3: 0.79
AlogP: 4.12 Num_rotatable_bonds: 13
MolWt: 924.14 Num_heavy_atoms: 65
TPSA: 215.28 NumAromaticRings: 1

Unique Aglycone
AD00774
Formula: C30H55O10N

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.93
AlogP: 1.51 Num_rotatable_bonds: 5
MolWt: 589.77 Num_heavy_atoms: 41
TPSA: 155.22 NumAromaticRings: 0
AD14063
Formula: C10H10O4

Smiles:
O=C(O)CC(=O)OCc1ccccc1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.2
AlogP: 1.2 Num_rotatable_bonds: 4
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 63.6 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O