Glycoside
...
GD004291

Name:
None

Formula:
C77H95O24N9

Smiles:
CC=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.CC=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: 0.45
AlogP: 2.82 Num_rotatable_bonds: 20
MolWt: 1530.65 Num_heavy_atoms: 110
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
AD03767
Formula: C64H72O17N8

Smiles:
CC=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: 0.34
AlogP: 5.11 Num_rotatable_bonds: 15
MolWt: 1225.32 Num_heavy_atoms: 89
TPSA: 406.86 NumAromaticRings: 5

Sugarmoiety
SD00003

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