Glycoside
...
GD016478

Name:
None

Formula:
C66H111O26N11

Smiles:
CC(=O)N[C@@H]1C(OCCCCCCNC(=O)CNC(=O)CN(CC(=O)NCC(=O)NCCCCCCOC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C(CCCCNC(=O)OCc2ccccc2)C(=O)NCC(=O)NCCCCCCOC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
O=C(CNC(=O)CN(CC(=O)NCC(=O)NCCCCCCO)C(CCCCNC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCCCCCO)NCCCCCCO

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O.CC(=O)NC1C(O)OC(CO)C(O)C1O.CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 4
HBD: 19 FractionCSP3: 0.76
AlogP: -5.99 Num_rotatable_bonds: 49
MolWt: 1474.67 Num_heavy_atoms: 103
TPSA: 540.92 NumAromaticRings: 1

Unique Aglycone
AD11851
Formula: C42H72O11N8

Smiles:
O=C(CNC(=O)CN(CC(=O)NCC(=O)NCCCCCCO)C(CCCCNC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCCCCCO)NCCCCCCO
HBA: 19 RingCount: 1
HBD: 10 FractionCSP3: 0.69
AlogP: 0.11 Num_rotatable_bonds: 37
MolWt: 865.08 Num_heavy_atoms: 61
TPSA: 276.86 NumAromaticRings: 1

Sugarmoiety
SD00390

CC(=O)NC1C(O)OC(CO)C(O)C1O.CC(=O)NC1C(O)OC(CO)C(O)C1O.CC(=O)NC1C(O)OC(CO)C(O)C1O