Glycoside
...
GD022820

Name:
None

Formula:
C49H70O14N4

Smiles:
CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(=O)NCCc3ccccc3)[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=NOC(=O)NCCc2ccccc2)[C@H](C)[C@@H]2OC(=O)O[C@]12C

Aglycone:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC)CC(C)C(=NOC(=O)NCCc2ccccc2)C(C)C2OC(=O)OC12C.O=C(O)NCCc1ccccc1

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 3 FractionCSP3: 0.63
AlogP: 5.61 Num_rotatable_bonds: 13
MolWt: 939.11 Num_heavy_atoms: 67
TPSA: 219.08 NumAromaticRings: 2

Unique Aglycone
AD12040
Formula: C9H11O2N

Smiles:
O=C(O)NCCc1ccccc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.5 Num_rotatable_bonds: 3
MolWt: 165.19 Num_heavy_atoms: 12
TPSA: 49.33 NumAromaticRings: 1
AD15424
Formula: C32H46O10N2

Smiles:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC)CC(C)C(=NOC(=O)NCCc2ccccc2)C(C)C2OC(=O)OC12C
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.66
AlogP: 4.21 Num_rotatable_bonds: 6
MolWt: 618.72 Num_heavy_atoms: 44
TPSA: 159.05 NumAromaticRings: 1

Sugarmoiety
SD00048

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