Glycoside
...
GD012375

Name:
None

Formula:
C31H39O12N3

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)OC(C)(C)C)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2CC1C(N)=O.COC(C)=O

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 2 FractionCSP3: 0.55
AlogP: 2.03 Num_rotatable_bonds: 7
MolWt: 645.66 Num_heavy_atoms: 46
TPSA: 188.86 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD09345
Formula: C17H21O3N3

Smiles:
CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2CC1C(N)=O
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.41
AlogP: 2.31 Num_rotatable_bonds: 1
MolWt: 315.37 Num_heavy_atoms: 23
TPSA: 88.42 NumAromaticRings: 2

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O