Glycoside
...
GD019393

Name:
None

Formula:
C48H79O15N5

Smiles:
CCNC(=O)O[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](C)O[C@H](O[C@H]3[C@H](CC=O)C[C@@H](C)[C@@H](O)CN(C)CCC[C@@H](CC=Cc4ccc(N)nc4)OC(=O)C[C@@H](O)[C@H]3OC)[C@H](O)[C@H]2N(C)C)C[C@]1(C)OC(=O)CC

Aglycone:
CCC(=O)O.CCNC(=O)O.COC1C(O)CC(=O)OC(CC=Cc2ccc(N)nc2)CCCN(C)CC(O)C(C)CC(CC=O)C1O

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 6 FractionCSP3: 0.77
AlogP: 2.83 Num_rotatable_bonds: 15
MolWt: 966.18 Num_heavy_atoms: 68
TPSA: 260.23 NumAromaticRings: 1

Unique Aglycone
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
AD03140
Formula: C3H7O2N

Smiles:
CCNC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.67
AlogP: 0.27 Num_rotatable_bonds: 1
MolWt: 89.09 Num_heavy_atoms: 6
TPSA: 49.33 NumAromaticRings: 0
AD13541
Formula: C27H43O7N3

Smiles:
COC1C(O)CC(=O)OC(CC=Cc2ccc(N)nc2)CCCN(C)CC(O)C(C)CC(CC=O)C1O
HBA: 10 RingCount: 2
HBD: 5 FractionCSP3: 0.67
AlogP: 1.42 Num_rotatable_bonds: 6
MolWt: 521.66 Num_heavy_atoms: 37
TPSA: 155.44 NumAromaticRings: 1

Sugarmoiety
SD00067

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1