Glycoside
...
GD004387

Name:
None

Formula:
C80H86O20N12

Smiles:
NCC[C@H](OC(=O)Nc1ccccc1)C(=O)N[C@@H]1C[C@H](N)[C@H](C[C@@H]2O[C@H](CN)[C@H](OC(=O)Nc3ccccc3)[C@H](OC(=O)Nc3ccccc3)[C@H]2OC(=O)Nc2ccccc2)[C@H](OC(=O)Nc2ccccc2)[C@H]1O[C@@H]1O[C@H](COC(=O)Nc2ccccc2)[C@H](OC(=O)Nc2ccccc2)[C@H](N)[C@H]1OC(=O)Cc1ccccc1

Aglycone:
CC1C(N)CC(NC(=O)C(CCN)OC(=O)Nc2ccccc2)C(O)C1OC(=O)Nc1ccccc1.COC(=O)Nc1ccccc1.O=C(O)Cc1ccccc1.O=C(O)Nc1ccccc1.O=C(O)Nc1ccccc1.O=C(O)Nc1ccccc1.O=C(O)Nc1ccccc1

Sugarmoiety:
NC1C(O)C(O)OC(CO)C1O.NCC1OC(O)C(O)C(O)O1

Other Identifiers

Properties
HBA: 32 RingCount: 11
HBD: 16 FractionCSP3: 0.29
AlogP: 9.83 Num_rotatable_bonds: 27
MolWt: 1535.63 Num_heavy_atoms: 112
TPSA: 455.48 NumAromaticRings: 8

Unique Aglycone
AD00909
Formula: C8H8O2

Smiles:
O=C(O)Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 1.31 Num_rotatable_bonds: 2
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 37.3 NumAromaticRings: 1
AD03528
Formula: C8H9O2N

Smiles:
COC(=O)Nc1ccccc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 1.86 Num_rotatable_bonds: 1
MolWt: 151.16 Num_heavy_atoms: 11
TPSA: 38.33 NumAromaticRings: 1
AD03530
Formula: C7H7O2N

Smiles:
O=C(O)Nc1ccccc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.78 Num_rotatable_bonds: 1
MolWt: 137.14 Num_heavy_atoms: 10
TPSA: 49.33 NumAromaticRings: 1
AD03840
Formula: C25H33O6N5

Smiles:
CC1C(N)CC(NC(=O)C(CCN)OC(=O)Nc2ccccc2)C(O)C1OC(=O)Nc1ccccc1
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 0.4
AlogP: 1.78 Num_rotatable_bonds: 8
MolWt: 499.57 Num_heavy_atoms: 36
TPSA: 178.03 NumAromaticRings: 2

Sugarmoiety
SD00722

NC1C(O)C(O)OC(CO)C1O.NCC1OC(O)C(O)C(O)O1