Glycoside
...
GD024604

Name:
None

Formula:
C54H62O8N2

Smiles:
COC1[C@H](NC(=O)CC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)CC[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@@]12CCN3C

Aglycone:
COC1C(NC(C)=O)CCC2C3Cc4ccc(O)cc4C21CCN3C.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 9
HBD: 2 FractionCSP3: 0.43
AlogP: 7.93 Num_rotatable_bonds: 17
MolWt: 867.1 Num_heavy_atoms: 64
TPSA: 107.95 NumAromaticRings: 5

Unique Aglycone
AD00042
Formula: C8H10O

Smiles:
COCc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 1.83 Num_rotatable_bonds: 2
MolWt: 122.17 Num_heavy_atoms: 9
TPSA: 9.23 NumAromaticRings: 1
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD16399
Formula: C20H28O3N2

Smiles:
COC1C(NC(C)=O)CCC2C3Cc4ccc(O)cc4C21CCN3C
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.65
AlogP: 1.82 Num_rotatable_bonds: 2
MolWt: 344.46 Num_heavy_atoms: 25
TPSA: 61.8 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O