Glycoside
...
GD136070

Name:
6-[5-({4-[(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-3,5-dihydroxy-6-methyloxan-2-yl}oxy)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methylhept-2-en-4-one

Formula:
C56H90O25

Smiles:
CC(C)=CC(=O)CC(C)(O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(O)CCC4(C)C3=CCC21C

Aglycone:
CC(C)=CC(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC21C

Sugarmoiety:
CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 14 FractionCSP3: 0.91
AlogP: -2.58 Num_rotatable_bonds: 15
MolWt: 1163.31 Num_heavy_atoms: 81
TPSA: 392.59 NumAromaticRings: 0

Unique Aglycone
AD11687
Formula: C27H42O4

Smiles:
CC(C)=CC(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC21C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.81
AlogP: 4.57 Num_rotatable_bonds: 4
MolWt: 430.63 Num_heavy_atoms: 31
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00002

CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O