Glycoside
...
GD036006

Name:
None

Formula:
C45H51O20N

Smiles:
COC(=O)C1(C)OC[C@@H]2O[C@H](OC3CCC(O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4N4C(=O)c5ccccc5C4=O)CC3)[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@H]2O1

Aglycone:
COC(=O)C1(C)OCC2OC(OC3CCC(O)CC3)C(OC(C)=O)C(OC(=O)c3ccccc3)C2O1.COC(C)=O.O=C1NC(=O)c2ccccc21

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 21 RingCount: 7
HBD: 0 FractionCSP3: 0.56
AlogP: 2.33 Num_rotatable_bonds: 13
MolWt: 925.89 Num_heavy_atoms: 66
TPSA: 250.56 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
AD03368
Formula: C8H5O2N

Smiles:
O=C1NC(=O)c2ccccc21
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 0.57 Num_rotatable_bonds: 0
MolWt: 147.13 Num_heavy_atoms: 11
TPSA: 46.17 NumAromaticRings: 1
AD22750
Formula: C25H32O11

Smiles:
COC(=O)C1(C)OCC2OC(OC3CCC(O)CC3)C(OC(C)=O)C(OC(=O)c3ccccc3)C2O1
HBA: 11 RingCount: 4
HBD: 1 FractionCSP3: 0.64
AlogP: 1.49 Num_rotatable_bonds: 6
MolWt: 508.52 Num_heavy_atoms: 36
TPSA: 136.05 NumAromaticRings: 1

Sugarmoiety
SD00013

CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O