Glycoside
...
GD032916

Name:
None

Formula:
C44H66O14N4

Smiles:
CO[C@@H]1[C@H](OC(C)=O)[C@H](OC(N)=O)[C@H](C)O[C@H]1N1C(=O)C(=C(O)C2[C@H](C)CC[C@H]3[C@H](O[C@@H]4C[C@](O)([C@H](C)NC(=O)c5ccc(C)[nH]5)[C@H](O)[C@H](C)O4)CCC(C)[C@@H]23)C(=O)[C@H]1C(C)C

Aglycone:
CC(C)C1NC(=O)C(=C(O)C2C(C)CCC3C(O)CCC(C)C32)C1=O.CCNC(=O)c1ccc(C)[nH]1

Sugarmoiety:
CC1OC(O)CC(O)(O)C1O.COC1C(O)OC(C)C(OC(N)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 7 FractionCSP3: 0.75
AlogP: 3.17 Num_rotatable_bonds: 11
MolWt: 875.03 Num_heavy_atoms: 62
TPSA: 258.5 NumAromaticRings: 1

Unique Aglycone
AD21051
Formula: C20H31O4N

Smiles:
CC(C)C1NC(=O)C(=C(O)C2C(C)CCC3C(O)CCC(C)C32)C1=O
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.8
AlogP: 2.59 Num_rotatable_bonds: 2
MolWt: 349.47 Num_heavy_atoms: 25
TPSA: 86.63 NumAromaticRings: 0
AD21052
Formula: C8H12ON2

Smiles:
CCNC(=O)c1ccc(C)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.38
AlogP: 1.07 Num_rotatable_bonds: 2
MolWt: 152.2 Num_heavy_atoms: 11
TPSA: 44.89 NumAromaticRings: 1

Sugarmoiety
SD03085

CC1OC(O)CC(O)(O)C1O.COC1C(O)OC(C)C(OC(N)=O)C1OC(C)=O