Glycoside
...
GD030931

Name:
None

Formula:
C70H92O17N8

Smiles:
COc1ccc(NC(C)=O)cc1C(=O)NNC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CCOC[C@@H]1OC(OCCCNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

Aglycone:
CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCCCO)C(C)C.COCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NNC(=O)c1cc(NC(C)=O)ccc1OC.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 25 RingCount: 6
HBD: 8 FractionCSP3: 0.46
AlogP: 7.46 Num_rotatable_bonds: 36
MolWt: 1317.54 Num_heavy_atoms: 95
TPSA: 315.87 NumAromaticRings: 5

Unique Aglycone
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
AD03441
Formula: C16H31O5N3

Smiles:
CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCCCO)C(C)C
HBA: 8 RingCount: 0
HBD: 4 FractionCSP3: 0.81
AlogP: 0.54 Num_rotatable_bonds: 8
MolWt: 345.44 Num_heavy_atoms: 24
TPSA: 116.76 NumAromaticRings: 0
AD06238
Formula: C28H37O8N5

Smiles:
COCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NNC(=O)c1cc(NC(C)=O)ccc1OC
HBA: 13 RingCount: 2
HBD: 5 FractionCSP3: 0.39
AlogP: 2.03 Num_rotatable_bonds: 15
MolWt: 571.63 Num_heavy_atoms: 41
TPSA: 173.19 NumAromaticRings: 2

Sugarmoiety
SD00017

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