Glycoside
...
GD010040

Name:
None

Formula:
C82H105O24N9

Smiles:
CCCCCCC=Cc1cc2ccc1Oc1cc3cc(c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1C[C@@](C)(N)[C@H](O)[C@H](C)O1)Oc1ccc(cc1C=CCCCCCC)[C@H](O)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]3NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)[C@H]2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2[C@@H](C(=O)O)NC1=O

Aglycone:
CC1OC(O)CC(C)(N)C1O.CCCCCCC=Cc1cc2ccc1Oc1cc3cc(c1O)Oc1ccc(cc1C=CCCCCCC)C(O)C1NC(=O)C(NC(=O)C3NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)NC1=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 12
HBD: 21 FractionCSP3: 0.49
AlogP: 4.77 Num_rotatable_bonds: 25
MolWt: 1600.78 Num_heavy_atoms: 115
TPSA: 530.49 NumAromaticRings: 5

Unique Aglycone
AD00183
Formula: C7H15O3N

Smiles:
CC1OC(O)CC(C)(N)C1O
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -0.81 Num_rotatable_bonds: 0
MolWt: 161.2 Num_heavy_atoms: 11
TPSA: 75.71 NumAromaticRings: 0
AD07801
Formula: C69H82O17N8

Smiles:
CCCCCCC=Cc1cc2ccc1Oc1cc3cc(c1O)Oc1ccc(cc1C=CCCCCCC)C(O)C1NC(=O)C(NC(=O)C3NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)NC1=O
HBA: 25 RingCount: 10
HBD: 16 FractionCSP3: 0.39
AlogP: 7.06 Num_rotatable_bonds: 20
MolWt: 1295.45 Num_heavy_atoms: 94
TPSA: 406.86 NumAromaticRings: 5

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O