Glycoside
...
GD117197

Name:
1-{1,3a,3b-trihydroxy-7-[(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}-4-methoxy-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 3,4-dimethylpent-2-enoate

Formula:
C65H98O20

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C=Cc6ccccc6)C6(C)C(O)(C(C)OC(=O)C=C(C)C(C)C)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O

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

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(O)CC4OC)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 4 FractionCSP3: 0.78
AlogP: 7.18 Num_rotatable_bonds: 19
MolWt: 1199.48 Num_heavy_atoms: 85
TPSA: 244.28 NumAromaticRings: 1

Unique Aglycone
AD46688
Formula: C37H50O8

Smiles:
CC(=CC(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C)C(C)C
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.62
AlogP: 5.04 Num_rotatable_bonds: 7
MolWt: 622.8 Num_heavy_atoms: 45
TPSA: 133.52 NumAromaticRings: 1

Sugarmoiety
SD00196

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(O)CC4OC)CC3OC)CC2OC)OC(C)C1O