Glycoside
...
GD117013

Name:
5-{7-[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2H-pyran-2-one

Formula:
C42H62O18

Smiles:
CC1OC(OC2C(OC3C(O)C(CO)OC(OC4C=C5CCC6C(CCC7(C)C(c8ccc(=O)oc8)CCC67O)C5(C)CC4)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12O

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 10 FractionCSP3: 0.83
AlogP: -1.34 Num_rotatable_bonds: 9
MolWt: 854.94 Num_heavy_atoms: 60
TPSA: 287.89 NumAromaticRings: 1

Unique Aglycone
AD00497
Formula: C24H32O4

Smiles:
CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12O
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.71
AlogP: 4.16 Num_rotatable_bonds: 1
MolWt: 384.52 Num_heavy_atoms: 28
TPSA: 70.67 NumAromaticRings: 1

Sugarmoiety
SD04629

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