Glycoside
...
GD004751

Name:
None

Formula:
C56H84O17N2

Smiles:
C[C@H]1C=CC=CC=CC=CC=CC=CC=C[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](NCc3ccc(N(C)C)cc3)[C@H]2O)C[C@@H]2O[C@@](O)(C[C@H](O)[C@@H]2C(=O)O)C[C@@H](O)[C@@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H]1O

Aglycone:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O.CN(C)c1ccc(CN)cc1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 12 FractionCSP3: 0.61
AlogP: 2.61 Num_rotatable_bonds: 7
MolWt: 1057.29 Num_heavy_atoms: 75
TPSA: 308.86 NumAromaticRings: 1

Unique Aglycone
AD02755
Formula: C41H62O14

Smiles:
CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O
HBA: 14 RingCount: 2
HBD: 10 FractionCSP3: 0.61
AlogP: 1.89 Num_rotatable_bonds: 1
MolWt: 778.93 Num_heavy_atoms: 55
TPSA: 254.9 NumAromaticRings: 0
AD04108
Formula: C9H14N2

Smiles:
CN(C)c1ccc(CN)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: 1.21 Num_rotatable_bonds: 2
MolWt: 150.22 Num_heavy_atoms: 11
TPSA: 29.26 NumAromaticRings: 1

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O