Glycoside
...
GD124066

Name:
1-{1,3a,3b-trihydroxy-7-[(4-hydroxy-5-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-11-[(3-phenylprop-2-enoyl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethyl pyridine-3-carboxylate

Formula:
C63H89O20N

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C=Cc6ccccc6)C6(C)C(O)(C(C)OC(=O)c8cccnc8)CCC76O)C5)OC4C)CC3OC)CC2OC)OC(C)C1O

Aglycone:
CC(OC(=O)c1cccnc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(O)OC4C)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 10
HBD: 5 FractionCSP3: 0.73
AlogP: 5.63 Num_rotatable_bonds: 17
MolWt: 1180.39 Num_heavy_atoms: 84
TPSA: 268.17 NumAromaticRings: 2

Unique Aglycone
AD05054
Formula: C36H43O8N

Smiles:
CC(OC(=O)c1cccnc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C
HBA: 9 RingCount: 6
HBD: 4 FractionCSP3: 0.53
AlogP: 4.15 Num_rotatable_bonds: 6
MolWt: 617.74 Num_heavy_atoms: 45
TPSA: 146.41 NumAromaticRings: 2

Sugarmoiety
SD00147

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(O)OC4C)CC3OC)CC2OC)OC(C)C1O